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
2
Annotation Hits

0
References

932
Patents

138.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 129.0
[M+Na]+ 161.09368 141.6
[M+NH4]+ 156.13828 138.4
[M+K]+ 177.06762 134.7
[M-H]- 137.09718 131.6
[M+Na-2H]- 159.07913 135.1
[M]+ 138.10391 131.5
[M]- 138.10501 131.5
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