CID 11857538

N-(3-aminopropyl)prop-2-enamide hydrochloride

Structural Information

Molecular Formula
C6H12N2O
SMILES
C=CC(=O)NCCCN
InChI
InChI=1S/C6H12N2O/c1-2-6(9)8-5-3-4-7/h2H,1,3-5,7H2,(H,8,9)
InChIKey
FZLUWDXMHJPGBS-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1341
Patents

128.09496 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 128.2
[M+Na]+ 151.084178 134.1
[M-H]- 127.087684 128.0
[M+NH4]+ 146.128783 149.4
[M+K]+ 167.058118 133.1
[M+H-H2O]+ 111.092220 122.9
[M+HCOO]- 173.093161 153.0
[M+CH3COO]- 187.108811 176.5
[M+Na-2H]- 149.069626 133.3
[M]+ 128.09441142 126.1
[M]- 128.09550858 126.1
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