CID 561870

Cis-2-thujen-4-ol

Structural Information

Molecular Formula
C10H16O
SMILES
CC(C)C12CC1C(C=C2)(C)O
InChI
InChI=1S/C10H16O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h4-5,7-8,11H,6H2,1-3H3
InChIKey
MSEVJTQZWWZGMP-UHFFFAOYSA-N
Compound name
2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

152.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 135.7
[M+Na]+ 175.10934 147.7
[M+NH4]+ 170.15394 148.3
[M+K]+ 191.08328 141.7
[M-H]- 151.11284 144.1
[M+Na-2H]- 173.09479 144.9
[M]+ 152.11957 141.2
[M]- 152.12067 141.2
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