CID 68752853

4-cyclobutylbenzonitrile

Structural Information

Molecular Formula
C11H11N
SMILES
C1CC(C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C11H11N/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h4-7,10H,1-3H2
InChIKey
KLJSCSFXQUQSFT-UHFFFAOYSA-N
Compound name
4-cyclobutylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

157.08914 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09642 127.6
[M+Na]+ 180.07836 136.0
[M-H]- 156.08186 133.4
[M+NH4]+ 175.12296 140.8
[M+K]+ 196.05230 136.2
[M+H-H2O]+ 140.08640 111.1
[M+HCOO]- 202.08734 146.6
[M+CH3COO]- 216.10299 193.5
[M+Na-2H]- 178.06381 134.0
[M]+ 157.08859 129.0
[M]- 157.08969 129.0
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