CID 11857538

82752-12-3

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

1193
Patents

128.09496 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 128.2
[M+Na]+ 151.08418 136.1
[M+NH4]+ 146.12878 135.1
[M+K]+ 167.05812 131.4
[M-H]- 127.08768 127.9
[M+Na-2H]- 149.06963 131.1
[M]+ 128.09441 128.7
[M]- 128.09551 128.7
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