CID 439410

(-)-trans-isopiperitenol

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=C[C@@H]([C@H](CC1)C(=C)C)O
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9-11H,1,4-5H2,2-3H3/t9-,10+/m1/s1
InChIKey
OLAKPNFIICOONC-ZJUUUORDSA-N
Compound name
(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

191
Patents

152.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 133.4
[M+Na]+ 175.10934 139.9
[M-H]- 151.11284 135.6
[M+NH4]+ 170.15394 154.3
[M+K]+ 191.08328 137.7
[M+H-H2O]+ 135.11738 128.7
[M+HCOO]- 197.11832 152.7
[M+CH3COO]- 211.13397 176.7
[M+Na-2H]- 173.09479 136.1
[M]+ 152.11957 129.8
[M]- 152.12067 129.8
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