CID 84400

1-phenylcyclobutanecarbonitrile

Structural Information

Molecular Formula
C11H11N
SMILES
C1CC(C1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C11H11N/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChIKey
DHIDUDPFTZJPCQ-UHFFFAOYSA-N
Compound name
1-phenylcyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
Patents

157.08914 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09642 130.5
[M+Na]+ 180.07836 139.3
[M-H]- 156.08186 136.5
[M+NH4]+ 175.12296 145.3
[M+K]+ 196.05230 138.7
[M+H-H2O]+ 140.08640 114.7
[M+HCOO]- 202.08734 149.6
[M+CH3COO]- 216.10299 192.1
[M+Na-2H]- 178.06381 138.1
[M]+ 157.08859 131.8
[M]- 157.08969 131.8
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