CID 10128

2-pinanol

Structural Information

Molecular Formula
C10H18O
SMILES
CC1(C2CCC(C1C2)(C)O)C
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3
InChIKey
YYWZKGZIIKPPJZ-UHFFFAOYSA-N
Compound name
2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

1863
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 147.7
[M+Na]+ 177.12499 154.3
[M-H]- 153.12849 146.5
[M+NH4]+ 172.16959 170.2
[M+K]+ 193.09893 154.5
[M+H-H2O]+ 137.13303 140.9
[M+HCOO]- 199.13397 159.6
[M+CH3COO]- 213.14962 184.1
[M+Na-2H]- 175.11044 157.3
[M]+ 154.13522 158.3
[M]- 154.13632 158.3
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.