CID 73557367

2-propen-1-aminium, n,n-dimethyl-n-2-propenyl-, chloride, telomer with 2-mercaptoethanol and 2-propenamide

Structural Information

Molecular Formula
C13H27N2O2S
SMILES
CC(CC1C[N+](CC1CSCCO)(C)C)C(=O)N
InChI
InChI=1S/C13H26N2O2S/c1-10(13(14)17)6-11-7-15(2,3)8-12(11)9-18-5-4-16/h10-12,16H,4-9H2,1-3H3,(H-,14,17)/p+1
InChIKey
VTIIQWCZXXRDDW-UHFFFAOYSA-O
Compound name
3-[4-(2-hydroxyethylsulfanylmethyl)-1,1-dimethylpyrrolidin-1-ium-3-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

275.17932 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18660 161.4
[M+Na]+ 298.16854 165.8
[M-H]- 274.17204 161.3
[M+NH4]+ 293.21314 179.4
[M+K]+ 314.14248 157.3
[M+H-H2O]+ 258.17658 159.0
[M+HCOO]- 320.17752 172.8
[M+CH3COO]- 334.19317 191.7
[M+Na-2H]- 296.15399 160.2
[M]+ 275.17877 159.8
[M]- 275.17987 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.