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

5
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 133.1
[M+Na]+ 175.10934 143.8
[M-H]- 151.11284 137.9
[M+NH4]+ 170.15394 155.6
[M+K]+ 191.08328 141.8
[M+H-H2O]+ 135.11738 130.5
[M+HCOO]- 197.11832 153.3
[M+CH3COO]- 211.13397 179.1
[M+Na-2H]- 173.09479 139.5
[M]+ 152.11957 136.7
[M]- 152.12067 136.7
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