CID 249259

3-methoxycyclohexan-1-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
COC1CCCC(C1)O
InChI
InChI=1S/C7H14O2/c1-9-7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3
InChIKey
ANRGBAYCAUTVKN-UHFFFAOYSA-N
Compound name
3-methoxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

65
Patents

130.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 127.0
[M+Na]+ 153.08860 132.6
[M-H]- 129.09210 128.8
[M+NH4]+ 148.13320 148.4
[M+K]+ 169.06254 132.1
[M+H-H2O]+ 113.09664 122.2
[M+HCOO]- 175.09758 146.8
[M+CH3COO]- 189.11323 168.9
[M+Na-2H]- 151.07405 132.1
[M]+ 130.09883 123.3
[M]- 130.09993 123.3
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