CID 70288

1-phenylcyclopropanecarbonitrile

Structural Information

Molecular Formula
C10H9N
SMILES
C1CC1(C#N)C2=CC=CC=C2
InChI
InChI=1S/C10H9N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey
ZHFURHRJUWYDKG-UHFFFAOYSA-N
Compound name
1-phenylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

570
Patents

143.0735 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08078 128.7
[M+Na]+ 166.06272 144.9
[M-H]- 142.06622 137.6
[M+NH4]+ 161.10732 147.1
[M+K]+ 182.03666 138.3
[M+H-H2O]+ 126.07076 119.6
[M+HCOO]- 188.07170 151.4
[M+CH3COO]- 202.08735 143.4
[M+Na-2H]- 164.04817 138.9
[M]+ 143.07295 127.3
[M]- 143.07405 127.3
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