CID 524005

P-menthane-1,3-diol

Structural Information

Molecular Formula
C10H20O2
SMILES
CC(C)C1CCC(CC1O)(C)O
InChI
InChI=1S/C10H20O2/c1-7(2)8-4-5-10(3,12)6-9(8)11/h7-9,11-12H,4-6H2,1-3H3
InChIKey
IIZCEIWXLSJQFP-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-ylcyclohexane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

172.14633 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.153606 140.2
[M+Na]+ 195.135548 145.8
[M-H]- 171.139054 140.9
[M+NH4]+ 190.180153 161.5
[M+K]+ 211.109488 144.3
[M+H-H2O]+ 155.143590 136.5
[M+HCOO]- 217.144531 156.4
[M+CH3COO]- 231.160181 177.0
[M+Na-2H]- 193.120996 142.5
[M]+ 172.14578142 135.8
[M]- 172.14687858 135.8
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