CID 12304610

(-)-thujol

Structural Information

Molecular Formula
C10H18O
SMILES
C[C@@H]1[C@H]2C[C@]2(C[C@@H]1O)C(C)C
InChI
InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9+,10+/m1/s1
InChIKey
DZVXRFMREAADPP-IMSYWVGJSA-N
Compound name
(1S,3S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

6
References

1215
Patents

154.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 133.9
[M+Na]+ 177.124988 143.7
[M-H]- 153.128494 138.3
[M+NH4]+ 172.169593 154.7
[M+K]+ 193.098928 141.1
[M+H-H2O]+ 137.133030 130.5
[M+HCOO]- 199.133971 153.0
[M+CH3COO]- 213.149621 180.8
[M+Na-2H]- 175.110436 137.7
[M]+ 154.13522142 136.0
[M]- 154.13631858 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.