CID 3388312

3-cyclohexylbutan-2-ol

Structural Information

Molecular Formula
C10H20O
SMILES
CC(C1CCCCC1)C(C)O
InChI
InChI=1S/C10H20O/c1-8(9(2)11)10-6-4-3-5-7-10/h8-11H,3-7H2,1-2H3
InChIKey
PDNDYBJRFPLDPP-UHFFFAOYSA-N
Compound name
3-cyclohexylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

156.15141 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 138.9
[M+Na]+ 179.14063 141.8
[M-H]- 155.14413 139.9
[M+NH4]+ 174.18523 158.8
[M+K]+ 195.11457 140.9
[M+H-H2O]+ 139.14867 133.6
[M+HCOO]- 201.14961 155.4
[M+CH3COO]- 215.16526 176.6
[M+Na-2H]- 177.12608 140.5
[M]+ 156.15086 133.0
[M]- 156.15196 133.0
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