CID 175347

72983-68-7

Structural Information

Molecular Formula
C12H18O
SMILES
CC1=CCC(CC1CC=O)C(=C)C
InChI
InChI=1S/C12H18O/c1-9(2)11-5-4-10(3)12(8-11)6-7-13/h4,7,11-12H,1,5-6,8H2,2-3H3
InChIKey
HZRBBXZWSHOZKT-UHFFFAOYSA-N
Compound name
2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 140.1
[M+Na]+ 201.12499 146.4
[M-H]- 177.12849 143.4
[M+NH4]+ 196.16959 160.6
[M+K]+ 217.09893 144.1
[M+H-H2O]+ 161.13303 134.8
[M+HCOO]- 223.13397 160.4
[M+CH3COO]- 237.14962 184.5
[M+Na-2H]- 199.11044 142.3
[M]+ 178.13522 138.5
[M]- 178.13632 138.5
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