CID 53426219

Dtxsid601194898

Structural Information

Molecular Formula
C15H24O
SMILES
CCC(=CCC1C2CCC(C2)C1(C)C)C=O
InChI
InChI=1S/C15H24O/c1-4-11(10-16)5-8-14-12-6-7-13(9-12)15(14,2)3/h5,10,12-14H,4,6-9H2,1-3H3
InChIKey
SVZGJXGCGUNXMO-UHFFFAOYSA-N
Compound name
4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-ethylbut-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 157.9
[M+Na]+ 243.171928 164.5
[M-H]- 219.175434 160.3
[M+NH4]+ 238.216533 183.8
[M+K]+ 259.145868 160.7
[M+H-H2O]+ 203.179970 154.2
[M+HCOO]- 265.180911 176.7
[M+CH3COO]- 279.196561 191.8
[M+Na-2H]- 241.157376 157.7
[M]+ 220.18216142 158.0
[M]- 220.18325858 158.0
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.