CID 11159354

2825-82-3

Structural Information

Molecular Formula
C10H16
SMILES
C1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1
InChI
InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-
InChIKey
LPSXSORODABQKT-FIRGSJFUSA-N
Compound name
(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

9585
Patents

136.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 134.6
[M+Na]+ 159.114418 141.3
[M-H]- 135.117924 138.2
[M+NH4]+ 154.159023 164.0
[M+K]+ 175.088358 139.0
[M+H-H2O]+ 119.122460 131.0
[M+HCOO]- 181.123401 154.7
[M+CH3COO]- 195.139051 148.2
[M+Na-2H]- 157.099866 136.5
[M]+ 136.12465142 131.3
[M]- 136.12574858 131.3
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