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]+ 162.136276 132.5
[M+Na]+ 184.118218 138.6
[M-H]- 160.121724 134.1
[M+NH4]+ 179.162823 153.4
[M+K]+ 200.092158 134.1
[M+H-H2O]+ 144.126260 130.5
[M+HCOO]- 206.127201 156.7
[M+CH3COO]- 220.142851 178.3
[M+Na-2H]- 182.103666 141.1
[M]+ 161.12845142 132.6
[M]- 161.12954858 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.