CID 43515018

1-(3,5-dimethylphenyl)cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C12H13N
SMILES
CC1=CC(=CC(=C1)C2(CC2)C#N)C
InChI
InChI=1S/C12H13N/c1-9-5-10(2)7-11(6-9)12(8-13)3-4-12/h5-7H,3-4H2,1-2H3
InChIKey
LQJOSRLVRNJONX-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.1048 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11208 134.5
[M+Na]+ 194.09402 151.5
[M-H]- 170.09752 143.8
[M+NH4]+ 189.13862 152.6
[M+K]+ 210.06796 144.6
[M+H-H2O]+ 154.10206 125.7
[M+HCOO]- 216.10300 156.7
[M+CH3COO]- 230.11865 196.8
[M+Na-2H]- 192.07947 142.8
[M]+ 171.10425 134.5
[M]- 171.10535 134.5
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