CID 157009951

P-menthan-trans-2,5-diol

Structural Information

Molecular Formula
C10H20O2
SMILES
C[C@@H]1CC([C@H](CC1O)C(C)C)O
InChI
InChI=1S/C10H20O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h6-12H,4-5H2,1-3H3/t7-,8-,9?,10?/m1/s1
InChIKey
TXISQGBRDPUIBI-LGUIWLBCSA-N
Compound name
(2R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 140.3
[M+Na]+ 195.13555 145.9
[M-H]- 171.13905 141.0
[M+NH4]+ 190.18015 159.9
[M+K]+ 211.10949 144.2
[M+H-H2O]+ 155.14359 135.9
[M+HCOO]- 217.14453 156.6
[M+CH3COO]- 231.16018 178.7
[M+Na-2H]- 193.12100 140.8
[M]+ 172.14578 136.0
[M]- 172.14688 136.0
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.