CID 53423439

Xrnwtjqeofkxpu-uhfffaoysa-n

Structural Information

Molecular Formula
C16H24O
SMILES
CCCCCC(=CC1C(C2CC1C=C2)C)C=O
InChI
InChI=1S/C16H24O/c1-3-4-5-6-13(11-17)9-16-12(2)14-7-8-15(16)10-14/h7-9,11-12,14-16H,3-6,10H2,1-2H3
InChIKey
XRNWTJQEOFKXPU-UHFFFAOYSA-N
Compound name
2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methylidene]heptanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 162.2
[M+Na]+ 255.171928 168.3
[M-H]- 231.175434 164.5
[M+NH4]+ 250.216533 185.6
[M+K]+ 271.145868 164.3
[M+H-H2O]+ 215.179970 157.5
[M+HCOO]- 277.180911 182.1
[M+CH3COO]- 291.196561 194.9
[M+Na-2H]- 253.157376 161.2
[M]+ 232.18216142 163.9
[M]- 232.18325858 163.9
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.