CID 142315

Beta-caran-3-ol

Structural Information

Molecular Formula
C10H18O
SMILES
CC1(C2C1CC(CC2)(C)O)C
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)6-8(7)9/h7-8,11H,4-6H2,1-3H3
InChIKey
ZOKKRMIFZVQTTP-UHFFFAOYSA-N
Compound name
3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

154.13577 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 135.6
[M+Na]+ 177.12499 148.4
[M+NH4]+ 172.16959 148.5
[M+K]+ 193.09893 140.2
[M-H]- 153.12849 144.8
[M+Na-2H]- 175.11044 145.1
[M]+ 154.13522 141.5
[M]- 154.13632 141.5
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