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

1884
Patents

154.13577 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 147.7
[M+Na]+ 177.124988 154.3
[M-H]- 153.128494 146.5
[M+NH4]+ 172.169593 170.2
[M+K]+ 193.098928 154.5
[M+H-H2O]+ 137.133030 140.9
[M+HCOO]- 199.133971 159.6
[M+CH3COO]- 213.149621 184.1
[M+Na-2H]- 175.110436 157.3
[M]+ 154.13522142 158.3
[M]- 154.13631858 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

literature stripe

Patent stripe

patents stripe