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

53
Patents

213.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 148.1
[M+Na]+ 236.10459 162.8
[M-H]- 212.10809 156.5
[M+NH4]+ 231.14919 162.4
[M+K]+ 252.07853 155.8
[M+H-H2O]+ 196.11263 138.2
[M+HCOO]- 258.11357 167.9
[M+CH3COO]- 272.12922 203.3
[M+Na-2H]- 234.09004 154.2
[M]+ 213.11482 147.5
[M]- 213.11592 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