CID 47029

Carbamic acid, 3-(trimethylammonio)propyl ester, iodide

Structural Information

Molecular Formula
C7H17N2O2
SMILES
C[N+](C)(C)CCCOC(=O)N
InChI
InChI=1S/C7H16N2O2/c1-9(2,3)5-4-6-11-7(8)10/h4-6H2,1-3H3,(H-,8,10)/p+1
InChIKey
XFPBGALYKDTSBA-UHFFFAOYSA-O
Compound name
3-carbamoyloxypropyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.129 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.13628 132.5
[M+Na]+ 184.11822 138.6
[M-H]- 160.12172 134.1
[M+NH4]+ 179.16282 153.4
[M+K]+ 200.09216 134.1
[M+H-H2O]+ 144.12626 130.5
[M+HCOO]- 206.12720 156.7
[M+CH3COO]- 220.14285 178.3
[M+Na-2H]- 182.10367 141.1
[M]+ 161.12845 132.6
[M]- 161.12955 132.6
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.