CID 10374851

P-menth-1-ene-3,6-diol

Structural Information

Molecular Formula
C10H18O2
SMILES
CC1=C[C@@H]([C@H](C[C@@H]1O)C(C)C)O
InChI
InChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8-12H,5H2,1-3H3/t8-,9+,10+/m1/s1
InChIKey
CDEBGVXOFDWUAF-UTLUCORTSA-N
Compound name
(1S,4R,5R)-2-methyl-5-propan-2-ylcyclohex-2-ene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

170.13068 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 138.3
[M+Na]+ 193.11990 144.9
[M-H]- 169.12340 139.4
[M+NH4]+ 188.16450 158.1
[M+K]+ 209.09384 143.0
[M+H-H2O]+ 153.12794 133.8
[M+HCOO]- 215.12888 156.0
[M+CH3COO]- 229.14453 178.3
[M+Na-2H]- 191.10535 139.7
[M]+ 170.13013 135.4
[M]- 170.13123 135.4
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

No patent data available for this compound.