CID 7271803

(-)-pinocampheol

Structural Information

Molecular Formula
C10H18O
SMILES
C[C@@H]1[C@@H]2C[C@@H](C2(C)C)C[C@H]1O
InChI
InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1
InChIKey
REPVLJRCJUVQFA-LURQLKTLSA-N
Compound name
(1S,2R,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

45349
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 145.7
[M+Na]+ 177.12499 152.0
[M-H]- 153.12849 144.3
[M+NH4]+ 172.16959 166.5
[M+K]+ 193.09893 152.6
[M+H-H2O]+ 137.13303 138.5
[M+HCOO]- 199.13397 157.6
[M+CH3COO]- 213.14962 185.4
[M+Na-2H]- 175.11044 153.8
[M]+ 154.13522 156.2
[M]- 154.13632 156.2
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