CID 11636931

4887-13-2

Structural Information

Molecular Formula
C9H14N2O2
SMILES
C=CC(=O)NCCCNC(=O)C=C
InChI
InChI=1S/C9H14N2O2/c1-3-8(12)10-6-5-7-11-9(13)4-2/h3-4H,1-2,5-7H2,(H,10,12)(H,11,13)
InChIKey
GJQRYIOSVPEUQJ-UHFFFAOYSA-N
Compound name
N-[3-(prop-2-enoylamino)propyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

430
Patents

182.10553 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 142.3
[M+Na]+ 205.094748 147.3
[M-H]- 181.098254 142.1
[M+NH4]+ 200.139353 161.4
[M+K]+ 221.068688 145.6
[M+H-H2O]+ 165.102790 136.4
[M+HCOO]- 227.103731 166.4
[M+CH3COO]- 241.119381 186.7
[M+Na-2H]- 203.080196 145.6
[M]+ 182.10498142 141.6
[M]- 182.10607858 141.6
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