CID 9949270

Undecylenamidopropyl betaine

Structural Information

Molecular Formula
C18H35N2O3
SMILES
C[N+](C)(CCCNC(=O)CCCCCCCCC=C)CC(=O)O
InChI
InChI=1S/C18H34N2O3/c1-4-5-6-7-8-9-10-11-13-17(21)19-14-12-15-20(2,3)16-18(22)23/h4H,1,5-16H2,2-3H3,(H-,19,21,22,23)/p+1
InChIKey
UIJMHOVIUFGSNF-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(undec-10-enoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1279
Patents

327.26477 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.27205 183.6
[M+Na]+ 350.25399 184.9
[M-H]- 326.25749 182.3
[M+NH4]+ 345.29859 205.6
[M+K]+ 366.22793 176.8
[M+H-H2O]+ 310.26203 179.6
[M+HCOO]- 372.26297 218.2
[M+CH3COO]- 386.27862 210.2
[M+Na-2H]- 348.23944 186.0
[M]+ 327.26422 186.3
[M]- 327.26532 186.3
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

patents stripe