CID 136538

Cyclopentylbenzene

Structural Information

Molecular Formula
C11H14
SMILES
C1CCC(C1)C2=CC=CC=C2
InChI
InChI=1S/C11H14/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9H2
InChIKey
VDIHFNQRHGYISG-UHFFFAOYSA-N
Compound name
cyclopentylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4089
Patents

146.10954 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11682 131.3
[M+Na]+ 169.09876 137.1
[M-H]- 145.10226 137.4
[M+NH4]+ 164.14336 154.0
[M+K]+ 185.07270 134.7
[M+H-H2O]+ 129.10680 125.2
[M+HCOO]- 191.10774 154.6
[M+CH3COO]- 205.12339 145.0
[M+Na-2H]- 167.08421 136.5
[M]+ 146.10899 127.2
[M]- 146.11009 127.2
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