CID 342559

Nsc379553

Structural Information

Molecular Formula
C12H11N3O
SMILES
C1CC1C(=O)C(=CNC2=CC=CC=N2)C#N
InChI
InChI=1S/C12H11N3O/c13-7-10(12(16)9-4-5-9)8-15-11-3-1-2-6-14-11/h1-3,6,8-9H,4-5H2,(H,14,15)
InChIKey
GUJHVNHITJUTSX-UHFFFAOYSA-N
Compound name
2-(cyclopropanecarbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

213.09021 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.097486 148.1
[M+Na]+ 236.079428 161.3
[M-H]- 212.082934 154.4
[M+NH4]+ 231.124033 160.2
[M+K]+ 252.053368 153.9
[M+H-H2O]+ 196.087470 136.4
[M+HCOO]- 258.088411 168.7
[M+CH3COO]- 272.104061 202.8
[M+Na-2H]- 234.064876 154.1
[M]+ 213.08966142 145.2
[M]- 213.09075858 145.2
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

No patent data available for this compound.