CID 3019332

4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde

Structural Information

Molecular Formula
C13H22O
SMILES
CC(C)CCCC1=CCC(CC1)C=O
InChI
InChI=1S/C13H22O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h6,10-11,13H,3-5,7-9H2,1-2H3
InChIKey
QXCGZLBKYFEHDE-UHFFFAOYSA-N
Compound name
4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

194.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 147.5
[M+Na]+ 217.156288 152.1
[M-H]- 193.159794 150.1
[M+NH4]+ 212.200893 167.0
[M+K]+ 233.130228 150.1
[M+H-H2O]+ 177.164330 141.6
[M+HCOO]- 239.165271 167.3
[M+CH3COO]- 253.180921 187.3
[M+Na-2H]- 215.141736 149.7
[M]+ 194.16652142 146.5
[M]- 194.16761858 146.5
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