CID 107104

2,6-dimethylcyclohex-2-ene-1-carbaldehyde

Structural Information

Molecular Formula
C9H14O
SMILES
CC1CCC=C(C1C=O)C
InChI
InChI=1S/C9H14O/c1-7-4-3-5-8(2)9(7)6-10/h4,6,8-9H,3,5H2,1-2H3
InChIKey
ZTNFZIHZMITMGE-UHFFFAOYSA-N
Compound name
2,6-dimethylcyclohex-2-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

950
Patents

138.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 127.7
[M+Na]+ 161.093678 135.3
[M-H]- 137.097184 131.4
[M+NH4]+ 156.138283 150.0
[M+K]+ 177.067618 133.9
[M+H-H2O]+ 121.101720 122.9
[M+HCOO]- 183.102661 149.9
[M+CH3COO]- 197.118311 175.5
[M+Na-2H]- 159.079126 132.8
[M]+ 138.10391142 126.3
[M]- 138.10500858 126.3
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

patents stripe