CID 157009791

(1r,2r,4r,5s)-(+)-p-menthane-2,5-diol

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(C)[C@H]1C[C@H]([C@@H](C[C@@H]1O)O)O
InChI
InChI=1S/C9H18O3/c1-5(2)6-3-8(11)9(12)4-7(6)10/h5-12H,3-4H2,1-2H3/t6-,7+,8-,9-/m1/s1
InChIKey
OBMLZGDTTDRNLZ-BZNPZCIMSA-N
Compound name
(1R,2R,4S,5R)-5-propan-2-ylcyclohexane-1,2,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1256 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 139.6
[M+Na]+ 197.114818 145.1
[M-H]- 173.118324 139.0
[M+NH4]+ 192.159423 158.3
[M+K]+ 213.088758 143.3
[M+H-H2O]+ 157.122860 135.3
[M+HCOO]- 219.123801 154.9
[M+CH3COO]- 233.139451 175.3
[M+Na-2H]- 195.100266 140.1
[M]+ 174.12505142 134.5
[M]- 174.12614858 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.