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]+ 158.096416 127.6
[M+Na]+ 180.078358 136.0
[M-H]- 156.081864 133.4
[M+NH4]+ 175.122963 140.8
[M+K]+ 196.052298 136.2
[M+H-H2O]+ 140.086400 111.1
[M+HCOO]- 202.087341 146.6
[M+CH3COO]- 216.102991 193.5
[M+Na-2H]- 178.063806 134.0
[M]+ 157.08859142 129.0
[M]- 157.08968858 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