CID 112097

10271-47-3

Structural Information

Molecular Formula
C10H16O
SMILES
C1C[C@@H]2C[C@H]1[C@H]3[C@@H]2[C@H](CC3)O
InChI
InChI=1S/C10H16O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h6-11H,1-5H2/t6-,7+,8-,9-,10+/m0/s1
InChIKey
QIBGUXADVFUERT-CVPUBMOQSA-N
Compound name
(1R,2R,3S,6S,7S)-tricyclo[5.2.1.02,6]decan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 137.4
[M+Na]+ 175.10934 144.5
[M-H]- 151.11284 140.0
[M+NH4]+ 170.15394 165.8
[M+K]+ 191.08328 141.7
[M+H-H2O]+ 135.11738 134.5
[M+HCOO]- 197.11832 156.1
[M+CH3COO]- 211.13397 150.6
[M+Na-2H]- 173.09479 138.5
[M]+ 152.11957 134.1
[M]- 152.12067 134.1
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.