CID 107491

Einecs 223-680-2

Structural Information

Molecular Formula
C10H18O
SMILES
C[C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@H]1O
InChI
InChI=1S/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1
InChIKey
WHXOMZVLSNHION-LURQLKTLSA-N
Compound name
(1S,3R,4R,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.13577 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.