CID 23499845

169280-06-2

Structural Information

Molecular Formula
C14H15NO
SMILES
CC(C)(C#N)C1=CC=C(C=C1)C(=O)C2CC2
InChI
InChI=1S/C14H15NO/c1-14(2,9-15)12-7-5-11(6-8-12)13(16)10-3-4-10/h5-8,10H,3-4H2,1-2H3
InChIKey
OEGDIOHJCJQYBA-UHFFFAOYSA-N
Compound name
2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

213.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.122646 148.1
[M+Na]+ 236.104588 162.8
[M-H]- 212.108094 156.5
[M+NH4]+ 231.149193 162.4
[M+K]+ 252.078528 155.8
[M+H-H2O]+ 196.112630 138.2
[M+HCOO]- 258.113571 167.9
[M+CH3COO]- 272.129221 203.3
[M+Na-2H]- 234.090036 154.2
[M]+ 213.11482142 147.5
[M]- 213.11591858 147.5
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