CID 13177837

Schembl4369333

Structural Information

Molecular Formula
C15H33N3O2
SMILES
CC(=C)C(=O)NCCC[N+](C)(C)CC(C[N+](C)(C)C)O
InChI
InChI=1S/C15H32N3O2/c1-13(2)15(20)16-9-8-10-18(6,7)12-14(19)11-17(3,4)5/h14,19H,1,8-12H2,2-7H3/q+1/p+1
InChIKey
BGPBCXAWPKVVLS-UHFFFAOYSA-O
Compound name
[3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

287.25726 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.264536 163.9
[M+Na]+ 310.246478 166.0
[M-H]- 286.249984 165.1
[M+NH4]+ 305.291083 213.7
[M+K]+ 326.220418 155.2
[M+H-H2O]+ 270.254520 163.9
[M+HCOO]- 332.255461 225.3
[M+CH3COO]- 346.271111 202.0
[M+Na-2H]- 308.231926 171.4
[M]+ 287.25671142 162.7
[M]- 287.25780858 162.7
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