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 133.1
[M+Na]+ 184.11822 142.9
[M+NH4]+ 179.16282 141.2
[M+K]+ 200.09216 139.8
[M-H]- 160.12172 134.3
[M+Na-2H]- 182.10367 137.3
[M]+ 161.12845 134.9
[M]- 161.12955 134.9
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.