CID 441246

(1s,2s,4r)-limonene-1,2-diol

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(=C)[C@@H]1CC[C@]([C@H](C1)O)(C)O
InChI
InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1
InChIKey
WKZWTZTZWGWEGE-UTLUCORTSA-N
Compound name
(1S,2S,4R)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5
References

254
Patents

170.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 138.7
[M+Na]+ 193.11990 144.6
[M-H]- 169.12340 139.4
[M+NH4]+ 188.16450 160.0
[M+K]+ 209.09384 142.5
[M+H-H2O]+ 153.12794 135.1
[M+HCOO]- 215.12888 155.1
[M+CH3COO]- 229.14453 176.1
[M+Na-2H]- 191.10535 141.1
[M]+ 170.13013 133.5
[M]- 170.13123 133.5
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