CID 67124272

1346576-02-0

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC1=C(C(=O)NC(=C1)C2CC2)C#N
InChI
InChI=1S/C10H10N2O/c1-6-4-9(7-2-3-7)12-10(13)8(6)5-11/h4,7H,2-3H2,1H3,(H,12,13)
InChIKey
SMGBURLUQWAZGR-UHFFFAOYSA-N
Compound name
6-cyclopropyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

174.07932 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 135.3
[M+Na]+ 197.06854 152.3
[M-H]- 173.07204 141.8
[M+NH4]+ 192.11314 149.6
[M+K]+ 213.04248 144.5
[M+H-H2O]+ 157.07658 125.1
[M+HCOO]- 219.07752 155.9
[M+CH3COO]- 233.09317 194.0
[M+Na-2H]- 195.05399 142.0
[M]+ 174.07877 133.8
[M]- 174.07987 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe