CID 11332535

4-cyclopropylbenzonitrile

Structural Information

Molecular Formula
C10H9N
SMILES
C1CC1C2=CC=C(C=C2)C#N
InChI
InChI=1S/C10H9N/c11-7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-6H2
InChIKey
HJWMALLDRPONGB-UHFFFAOYSA-N
Compound name
4-cyclopropylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

143.0735 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.080776 126.3
[M+Na]+ 166.062718 142.3
[M-H]- 142.066224 135.0
[M+NH4]+ 161.107323 143.2
[M+K]+ 182.036658 135.6
[M+H-H2O]+ 126.070760 116.5
[M+HCOO]- 188.071701 149.3
[M+CH3COO]- 202.087351 191.1
[M+Na-2H]- 164.048166 135.2
[M]+ 143.07295142 124.8
[M]- 143.07404858 124.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe