CID 45958

Carbamic acid, diethyl-, 2-(trimethylammonio)ethyl ester, iodide

Structural Information

Molecular Formula
C10H23N2O2
SMILES
CCN(CC)C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C10H23N2O2/c1-6-11(7-2)10(13)14-9-8-12(3,4)5/h6-9H2,1-5H3/q+1
InChIKey
FYBQEEZXFSSBKE-UHFFFAOYSA-N
Compound name
2-(diethylcarbamoyloxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.17595 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.18323 146.2
[M+Na]+ 226.16517 151.3
[M-H]- 202.16867 149.3
[M+NH4]+ 221.20977 166.4
[M+K]+ 242.13911 147.8
[M+H-H2O]+ 186.17321 143.5
[M+HCOO]- 248.17415 170.6
[M+CH3COO]- 262.18980 191.0
[M+Na-2H]- 224.15062 153.5
[M]+ 203.17540 149.7
[M]- 203.17650 149.7
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.