CID 3018560

Schembl4972084

Structural Information

Molecular Formula
C15H24O
SMILES
CCCC(=CCC1CC=C(C1(C)C)C)C=O
InChI
InChI=1S/C15H24O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKey
FYNHROHOVQFDCZ-UHFFFAOYSA-N
Compound name
2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 153.5
[M+Na]+ 243.171928 160.5
[M-H]- 219.175434 156.9
[M+NH4]+ 238.216533 176.3
[M+K]+ 259.145868 157.5
[M+H-H2O]+ 203.179970 149.1
[M+HCOO]- 265.180911 175.0
[M+CH3COO]- 279.196561 192.2
[M+Na-2H]- 241.157376 154.1
[M]+ 220.18216142 155.3
[M]- 220.18325858 155.3
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

patents stripe