CID 1514321

Rac-(1r,2s)-2-(hydroxymethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
C1CC[C@H]([C@@H](C1)CO)O
InChI
InChI=1S/C7H14O2/c8-5-6-3-1-2-4-7(6)9/h6-9H,1-5H2/t6-,7+/m0/s1
InChIKey
OHWMJHMSUDKMGL-NKWVEPMBSA-N
Compound name
(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

130.09938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 127.9
[M+Na]+ 153.08860 133.0
[M-H]- 129.09210 128.2
[M+NH4]+ 148.13320 148.5
[M+K]+ 169.06254 131.5
[M+H-H2O]+ 113.09664 123.2
[M+HCOO]- 175.09758 146.1
[M+CH3COO]- 189.11323 166.2
[M+Na-2H]- 151.07405 132.4
[M]+ 130.09883 122.2
[M]- 130.09993 122.2
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