CID 10864

Pentylbenzene

Structural Information

Molecular Formula
C11H16
SMILES
CCCCCC1=CC=CC=C1
InChI
InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
InChIKey
PWATWSYOIIXYMA-UHFFFAOYSA-N
Compound name
pentylbenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

48
References

38971
Patents

148.1252 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.13248 132.7
[M+Na]+ 171.11442 139.4
[M-H]- 147.11792 136.0
[M+NH4]+ 166.15902 154.2
[M+K]+ 187.08836 137.1
[M+H-H2O]+ 131.12246 127.1
[M+HCOO]- 193.12340 156.7
[M+CH3COO]- 207.13905 177.7
[M+Na-2H]- 169.09987 140.1
[M]+ 148.12465 133.4
[M]- 148.12575 133.4
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

No patent data available for this compound.