CID 12304610

Thujyl alcohol

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
5
Annotation Hits

6
References

1242
Patents

154.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 133.9
[M+Na]+ 177.12499 143.7
[M-H]- 153.12849 138.3
[M+NH4]+ 172.16959 154.7
[M+K]+ 193.09893 141.1
[M+H-H2O]+ 137.13303 130.5
[M+HCOO]- 199.13397 153.0
[M+CH3COO]- 213.14962 180.8
[M+Na-2H]- 175.11044 137.7
[M]+ 154.13522 136.0
[M]- 154.13632 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

literature stripe

Patent stripe

patents stripe