CID 93199

Myrac aldehyde

Structural Information

Molecular Formula
C13H20O
SMILES
CC(=CCCC1=CCC(CC1)C=O)C
InChI
InChI=1S/C13H20O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,10,13H,3,5,7-9H2,1-2H3
InChIKey
MQBIZQLCHSZBOI-UHFFFAOYSA-N
Compound name
4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

4302
Patents

192.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 147.1
[M+Na]+ 215.14063 158.2
[M+NH4]+ 210.18523 155.4
[M+K]+ 231.11457 150.8
[M-H]- 191.14413 149.0
[M+Na-2H]- 213.12608 151.8
[M]+ 192.15086 149.1
[M]- 192.15196 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe