CID 3022586

Mafitfsdtghhdl-uhfffaoysa-n

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 150.7
[M+Na]+ 229.156288 155.3
[M-H]- 205.159794 153.2
[M+NH4]+ 224.200893 169.8
[M+K]+ 245.130228 152.5
[M+H-H2O]+ 189.164330 144.8
[M+HCOO]- 251.165271 170.4
[M+CH3COO]- 265.180921 188.8
[M+Na-2H]- 227.141736 152.4
[M]+ 206.16652142 149.3
[M]- 206.16761858 149.3
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.