CID 170833

(-)-isopulegol

Structural Information

Molecular Formula
C10H18O
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)O)C(=C)C
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
InChIKey
ZYTMANIQRDEHIO-KXUCPTDWSA-N
Compound name
(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

71
References

15803
Patents

154.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 135.5
[M+Na]+ 177.12499 140.9
[M-H]- 153.12849 137.3
[M+NH4]+ 172.16959 156.2
[M+K]+ 193.09893 139.0
[M+H-H2O]+ 137.13303 130.8
[M+HCOO]- 199.13397 153.3
[M+CH3COO]- 213.14962 177.1
[M+Na-2H]- 175.11044 137.2
[M]+ 154.13522 130.4
[M]- 154.13632 130.4
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

patents stripe