CID 74385594

6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-hexenal

Structural Information

Molecular Formula
C14H22O
SMILES
CC1=CCC(C1(C)C)CC=CCCC=O
InChI
InChI=1S/C14H22O/c1-12-9-10-13(14(12,2)3)8-6-4-5-7-11-15/h4,6,9,11,13H,5,7-8,10H2,1-3H3
InChIKey
ASSLVOHPKGZROT-UHFFFAOYSA-N
Compound name
6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

206.16707 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 148.6
[M+Na]+ 229.15629 156.3
[M-H]- 205.15979 152.1
[M+NH4]+ 224.20089 172.1
[M+K]+ 245.13023 153.1
[M+H-H2O]+ 189.16433 144.2
[M+HCOO]- 251.16527 171.5
[M+CH3COO]- 265.18092 188.4
[M+Na-2H]- 227.14174 151.0
[M]+ 206.16652 150.7
[M]- 206.16762 150.7
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