CID 101755

534-35-0

Structural Information

Molecular Formula
C10H18O
SMILES
C[C@]12C[C@H](C[C@H]1O)C(C2)(C)C
InChI
InChI=1S/C10H18O/c1-9(2)6-10(3)5-7(9)4-8(10)11/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChIKey
QNNGNRWQCQDOMF-QXFUBDJGSA-N
Compound name
(1R,2R,4R)-1,5,5-trimethylbicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

154.13577 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 135.5
[M+Na]+ 177.124988 144.6
[M-H]- 153.128494 137.7
[M+NH4]+ 172.169593 165.6
[M+K]+ 193.098928 141.8
[M+H-H2O]+ 137.133030 133.4
[M+HCOO]- 199.133971 155.2
[M+CH3COO]- 213.149621 175.6
[M+Na-2H]- 175.110436 140.1
[M]+ 154.13522142 134.6
[M]- 154.13631858 134.6
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.