CID 45978

Carbamic acid, 10-(trimethylammonio)decyl ester, chloride

Structural Information

Molecular Formula
C14H31N2O2
SMILES
C[N+](C)(C)CCCCCCCCCCOC(=O)N
InChI
InChI=1S/C14H30N2O2/c1-16(2,3)12-10-8-6-4-5-7-9-11-13-18-14(15)17/h4-13H2,1-3H3,(H-,15,17)/p+1
InChIKey
RTPRZNCDIPMNQG-UHFFFAOYSA-O
Compound name
10-carbamoyloxydecyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.23856 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.24584 165.5
[M+Na]+ 282.22778 168.6
[M-H]- 258.23128 165.7
[M+NH4]+ 277.27238 182.4
[M+K]+ 298.20172 162.3
[M+H-H2O]+ 242.23582 162.0
[M+HCOO]- 304.23676 187.3
[M+CH3COO]- 318.25241 199.6
[M+Na-2H]- 280.21323 170.3
[M]+ 259.23801 168.2
[M]- 259.23911 168.2
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.