CID 48131

Carbamic acid, 2-(dimethylamino)ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C5H12N2O2
SMILES
CN(C)CCOC(=O)N
InChI
InChI=1S/C5H12N2O2/c1-7(2)3-4-9-5(6)8/h3-4H2,1-2H3,(H2,6,8)
InChIKey
LPVCCSSTZWTHFO-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

162
Patents

132.08987 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.09715 127.9
[M+Na]+ 155.07909 134.0
[M-H]- 131.08259 129.3
[M+NH4]+ 150.12369 149.6
[M+K]+ 171.05303 135.8
[M+H-H2O]+ 115.08713 122.3
[M+HCOO]- 177.08807 153.6
[M+CH3COO]- 191.10372 179.9
[M+Na-2H]- 153.06454 132.7
[M]+ 132.08932 128.8
[M]- 132.09042 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe