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
2
Annotation Hits

2
References

995
Patents

134.04984 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.057116 125.4
[M+Na]+ 157.039058 132.2
[M-H]- 133.042564 127.2
[M+NH4]+ 152.083663 147.5
[M+K]+ 173.012998 129.4
[M+H-H2O]+ 117.047100 121.8
[M+HCOO]- 179.048041 140.7
[M+CH3COO]- 193.063691 167.7
[M+Na-2H]- 155.024506 130.6
[M]+ 134.04929142 121.7
[M]- 134.05038858 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