CID 577161

Cyclopropa[1,2:1,3]dicyclopenten-3(3ah)-one, 1,2,3b,6-tetrahydro-3a,6,6-trimethyl-

Structural Information

Molecular Formula
C12H16O
SMILES
CC1(C=CC2C13C2(C(=O)CC3)C)C
InChI
InChI=1S/C12H16O/c1-10(2)6-4-8-11(3)9(13)5-7-12(8,10)11/h4,6,8H,5,7H2,1-3H3
InChIKey
OVJCTRIYNKNFPK-UHFFFAOYSA-N
Compound name
5,9,9-trimethyltricyclo[4.3.0.01,5]non-7-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 138.5
[M+Na]+ 199.109338 150.9
[M-H]- 175.112844 146.2
[M+NH4]+ 194.153943 164.7
[M+K]+ 215.083278 148.2
[M+H-H2O]+ 159.117380 136.4
[M+HCOO]- 221.118321 159.2
[M+CH3COO]- 235.133971 153.4
[M+Na-2H]- 197.094786 144.7
[M]+ 176.11957142 143.3
[M]- 176.12066858 143.3
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.