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]+ 175.13288 139.6
[M+Na]+ 197.11482 145.1
[M-H]- 173.11832 139.0
[M+NH4]+ 192.15942 158.3
[M+K]+ 213.08876 143.3
[M+H-H2O]+ 157.12286 135.3
[M+HCOO]- 219.12380 154.9
[M+CH3COO]- 233.13945 175.3
[M+Na-2H]- 195.10027 140.1
[M]+ 174.12505 134.5
[M]- 174.12615 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.