CID 557006

9-methylbicyclo[3.3.1]nonane

Structural Information

Molecular Formula
C10H18
SMILES
CC1C2CCCC1CCC2
InChI
InChI=1S/C10H18/c1-8-9-4-2-5-10(8)7-3-6-9/h8-10H,2-7H2,1H3
InChIKey
BGVTWYSBELJEEE-UHFFFAOYSA-N
Compound name
9-methylbicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

138.14085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.148126 130.5
[M+Na]+ 161.130068 135.0
[M-H]- 137.133574 132.4
[M+NH4]+ 156.174673 153.9
[M+K]+ 177.104008 133.1
[M+H-H2O]+ 121.138110 125.5
[M+HCOO]- 183.139051 147.2
[M+CH3COO]- 197.154701 176.0
[M+Na-2H]- 159.115516 136.7
[M]+ 138.14030142 124.6
[M]- 138.14139858 124.6
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

patents stripe