CID 139915

1-pentylcyclohexene

Structural Information

Molecular Formula
C11H20
SMILES
CCCCCC1=CCCCC1
InChI
InChI=1S/C11H20/c1-2-3-5-8-11-9-6-4-7-10-11/h9H,2-8,10H2,1H3
InChIKey
IOTQTOFPEVQVPG-UHFFFAOYSA-N
Compound name
1-pentylcyclohexene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

151
Patents

152.1565 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.16378 136.7
[M+Na]+ 175.14572 141.2
[M-H]- 151.14922 139.2
[M+NH4]+ 170.19032 157.8
[M+K]+ 191.11966 139.4
[M+H-H2O]+ 135.15376 131.0
[M+HCOO]- 197.15470 157.7
[M+CH3COO]- 211.17035 178.3
[M+Na-2H]- 173.13117 141.9
[M]+ 152.15595 134.5
[M]- 152.15705 134.5
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