CID 45956

Carbamic acid, allyl-, 2-(trimethylammonio)ethyl ester, chloride

Structural Information

Molecular Formula
C9H19N2O2
SMILES
C[N+](C)(C)CCOC(=O)NCC=C
InChI
InChI=1S/C9H18N2O2/c1-5-6-10-9(12)13-8-7-11(2,3)4/h5H,1,6-8H2,2-4H3/p+1
InChIKey
HTEYLULFTOMQCS-UHFFFAOYSA-O
Compound name
trimethyl-[2-(prop-2-enylcarbamoyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.14465 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.15193 140.4
[M+Na]+ 210.13387 146.0
[M-H]- 186.13737 142.2
[M+NH4]+ 205.17847 160.5
[M+K]+ 226.10781 140.7
[M+H-H2O]+ 170.14191 138.1
[M+HCOO]- 232.14285 164.8
[M+CH3COO]- 246.15850 183.3
[M+Na-2H]- 208.11932 149.0
[M]+ 187.14410 141.5
[M]- 187.14520 141.5
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.