CID 240731

Ethyl n-(2-aminoethyl)carbamate hydrochloride

Structural Information

Molecular Formula
C5H12N2O2
SMILES
CCOC(=O)NCCN
InChI
InChI=1S/C5H12N2O2/c1-2-9-5(8)7-4-3-6/h2-4,6H2,1H3,(H,7,8)
InChIKey
ADYWUAMYLMRHRL-UHFFFAOYSA-N
Compound name
ethyl N-(2-aminoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

78
Patents

132.08987 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.09715 127.9
[M+Na]+ 155.07909 133.9
[M-H]- 131.08259 127.8
[M+NH4]+ 150.12369 149.0
[M+K]+ 171.05303 134.3
[M+H-H2O]+ 115.08713 122.5
[M+HCOO]- 177.08807 153.1
[M+CH3COO]- 191.10372 175.7
[M+Na-2H]- 153.06454 133.5
[M]+ 132.08932 127.4
[M]- 132.09042 127.4
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