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

74
Patents

174.07932 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.086596 135.3
[M+Na]+ 197.068538 152.3
[M-H]- 173.072044 141.8
[M+NH4]+ 192.113143 149.6
[M+K]+ 213.042478 144.5
[M+H-H2O]+ 157.076580 125.1
[M+HCOO]- 219.077521 155.9
[M+CH3COO]- 233.093171 194.0
[M+Na-2H]- 195.053986 142.0
[M]+ 174.07877142 133.8
[M]- 174.07986858 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