CID 15274

2-chlorocyclohexanol

Structural Information

Molecular Formula
C6H11ClO
SMILES
C1CCC(C(C1)O)Cl
InChI
InChI=1S/C6H11ClO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2
InChIKey
NYEWDMNOXFGGDX-UHFFFAOYSA-N
Compound name
2-chlorocyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

652
Patents

134.04984 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05712 125.4
[M+Na]+ 157.03906 132.2
[M-H]- 133.04256 127.2
[M+NH4]+ 152.08366 147.5
[M+K]+ 173.01300 129.4
[M+H-H2O]+ 117.04710 121.8
[M+HCOO]- 179.04804 140.7
[M+CH3COO]- 193.06369 167.7
[M+Na-2H]- 155.02451 130.6
[M]+ 134.04929 121.7
[M]- 134.05039 121.7
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