CID 103649

Myrac aldehyde 1

Structural Information

Molecular Formula
C13H20O
SMILES
CC(=CCCC1=CCCC(C1)C=O)C
InChI
InChI=1S/C13H20O/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14/h5,7,10,13H,3-4,6,8-9H2,1-2H3
InChIKey
RKXHUEKKGCBVSR-UHFFFAOYSA-N
Compound name
3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

152
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