CID 46016

Carbamic acid, 4-(trimethylammonio)butyl ester, chloride

Structural Information

Molecular Formula
C8H19N2O2
SMILES
C[N+](C)(C)CCCCOC(=O)N
InChI
InChI=1S/C8H18N2O2/c1-10(2,3)6-4-5-7-12-8(9)11/h4-7H2,1-3H3,(H-,9,11)/p+1
InChIKey
NSSONOHALBASLR-UHFFFAOYSA-O
Compound name
4-carbamoyloxybutyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.14465 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.15193 137.3
[M+Na]+ 198.13387 143.0
[M-H]- 174.13737 138.7
[M+NH4]+ 193.17847 157.6
[M+K]+ 214.10781 138.2
[M+H-H2O]+ 158.14191 135.0
[M+HCOO]- 220.14285 161.1
[M+CH3COO]- 234.15850 181.3
[M+Na-2H]- 196.11932 145.3
[M]+ 175.14410 137.8
[M]- 175.14520 137.8
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.