CID 199574

4427-18-3

Structural Information

Molecular Formula
C11H13N3O
SMILES
C1CCC(=NNC(=O)C2=CC=NC=C2)C1
InChI
InChI=1S/C11H13N3O/c15-11(9-5-7-12-8-6-9)14-13-10-3-1-2-4-10/h5-8H,1-4H2,(H,14,15)
InChIKey
WFWRZAGLLHCXCM-UHFFFAOYSA-N
Compound name
N-(cyclopentylideneamino)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7
Patents

203.10587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 143.7
[M+Na]+ 226.09509 148.5
[M-H]- 202.09859 149.8
[M+NH4]+ 221.13969 162.6
[M+K]+ 242.06903 146.5
[M+H-H2O]+ 186.10313 135.2
[M+HCOO]- 248.10407 168.9
[M+CH3COO]- 262.11972 188.4
[M+Na-2H]- 224.08054 149.1
[M]+ 203.10532 139.8
[M]- 203.10642 139.8
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