CID 536562

(1r*,2s*,3s*,6s*)-2-caranol

Structural Information

Molecular Formula
C10H18O
SMILES
CC1CCC2C(C1O)C2(C)C
InChI
InChI=1S/C10H18O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3
InChIKey
RPPLFPVIBFQGJC-UHFFFAOYSA-N
Compound name
3,7,7-trimethylbicyclo[4.1.0]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 133.5
[M+Na]+ 177.12499 146.5
[M+NH4]+ 172.16959 145.1
[M+K]+ 193.09893 140.1
[M-H]- 153.12849 142.6
[M+Na-2H]- 175.11044 141.4
[M]+ 154.13522 139.3
[M]- 154.13632 139.3
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

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