CID 13261194

2-(3-methylphenyl)-3-oxobutanenitrile

Structural Information

Molecular Formula
C11H11NO
SMILES
CC1=CC(=CC=C1)C(C#N)C(=O)C
InChI
InChI=1S/C11H11NO/c1-8-4-3-5-10(6-8)11(7-12)9(2)13/h3-6,11H,1-2H3
InChIKey
VTMXXWNCTGJYOY-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-3-oxobutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 138.7
[M+Na]+ 196.07328 150.6
[M+NH4]+ 191.11788 143.6
[M+K]+ 212.04722 141.6
[M-H]- 172.07678 133.3
[M+Na-2H]- 194.05873 142.6
[M]+ 173.08351 138.0
[M]- 173.08461 138.0
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

No patent data available for this compound.