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]+ 172.112076 134.5
[M+Na]+ 194.094018 151.5
[M-H]- 170.097524 143.8
[M+NH4]+ 189.138623 152.6
[M+K]+ 210.067958 144.6
[M+H-H2O]+ 154.102060 125.7
[M+HCOO]- 216.103001 156.7
[M+CH3COO]- 230.118651 196.8
[M+Na-2H]- 192.079466 142.8
[M]+ 171.10425142 134.5
[M]- 171.10534858 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