CID 14449682

1-methylcyclohexane-1,4-diol

Structural Information

Molecular Formula
C7H14O2
SMILES
CC1(CCC(CC1)O)O
InChI
InChI=1S/C7H14O2/c1-7(9)4-2-6(8)3-5-7/h6,8-9H,2-5H2,1H3
InChIKey
YXZQSMBYXJWRSP-UHFFFAOYSA-N
Compound name
1-methylcyclohexane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2429
Patents

130.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 127.7
[M+Na]+ 153.08860 133.8
[M-H]- 129.09210 128.5
[M+NH4]+ 148.13320 150.4
[M+K]+ 169.06254 132.5
[M+H-H2O]+ 113.09664 124.0
[M+HCOO]- 175.09758 145.9
[M+CH3COO]- 189.11323 165.8
[M+Na-2H]- 151.07405 133.4
[M]+ 130.09883 122.4
[M]- 130.09993 122.4
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