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
cis-(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]+ 173.153606 140.3
[M+Na]+ 195.135548 145.9
[M-H]- 171.139054 141.0
[M+NH4]+ 190.180153 159.9
[M+K]+ 211.109488 144.2
[M+H-H2O]+ 155.143590 135.9
[M+HCOO]- 217.144531 156.6
[M+CH3COO]- 231.160181 178.7
[M+Na-2H]- 193.120996 140.8
[M]+ 172.14578142 136.0
[M]- 172.14687858 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.