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

1446
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 134.1
[M-H]- 127.08768 128.0
[M+NH4]+ 146.12878 149.4
[M+K]+ 167.05812 133.1
[M+H-H2O]+ 111.09222 122.9
[M+HCOO]- 173.09316 153.0
[M+CH3COO]- 187.10881 176.5
[M+Na-2H]- 149.06963 133.3
[M]+ 128.09441 126.1
[M]- 128.09551 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