CID 46556

Carbamic acid, 5-(trimethylammonio)pentyl ester, chloride

Structural Information

Molecular Formula
C9H21N2O2
SMILES
C[N+](C)(C)CCCCCOC(=O)N
InChI
InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8-13-9(10)12/h4-8H2,1-3H3,(H-,10,12)/p+1
InChIKey
XVJQMYFUSVPUBX-UHFFFAOYSA-O
Compound name
5-carbamoyloxypentyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.16031 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.167586 142.0
[M+Na]+ 212.149528 147.3
[M-H]- 188.153034 143.2
[M+NH4]+ 207.194133 161.8
[M+K]+ 228.123468 142.2
[M+H-H2O]+ 172.157570 139.6
[M+HCOO]- 234.158511 165.5
[M+CH3COO]- 248.174161 184.4
[M+Na-2H]- 210.134976 149.5
[M]+ 189.15976142 142.9
[M]- 189.16085858 142.9
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.