CID 534869

Bicyclo[6.1.0]nonane, 9-(1-methylethylidene)-

Structural Information

Molecular Formula
C12H20
SMILES
CC(=C1C2C1CCCCCC2)C
InChI
InChI=1S/C12H20/c1-9(2)12-10-7-5-3-4-6-8-11(10)12/h10-11H,3-8H2,1-2H3
InChIKey
QJTJAUTVGXPXTR-UHFFFAOYSA-N
Compound name
9-propan-2-ylidenebicyclo[6.1.0]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.1565 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.163776 137.5
[M+Na]+ 187.145718 142.5
[M-H]- 163.149224 140.0
[M+NH4]+ 182.190323 145.4
[M+K]+ 203.119658 142.4
[M+H-H2O]+ 147.153760 134.4
[M+HCOO]- 209.154701 146.0
[M+CH3COO]- 223.170351 223.1
[M+Na-2H]- 185.131166 138.5
[M]+ 164.15595142 137.0
[M]- 164.15704858 137.0
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.