CID 93375

68039-49-6

Structural Information

Molecular Formula
C9H14O
SMILES
CC1C=C(CCC1C=O)C
InChI
InChI=1S/C9H14O/c1-7-3-4-9(6-10)8(2)5-7/h5-6,8-9H,3-4H2,1-2H3
InChIKey
MZZRKEIUNOYYDF-UHFFFAOYSA-N
Compound name
2,4-dimethylcyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

9891
Patents

138.10446 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 127.7
[M+Na]+ 161.09368 135.3
[M-H]- 137.09718 131.4
[M+NH4]+ 156.13828 150.0
[M+K]+ 177.06762 133.9
[M+H-H2O]+ 121.10172 122.9
[M+HCOO]- 183.10266 149.9
[M+CH3COO]- 197.11831 175.5
[M+Na-2H]- 159.07913 132.8
[M]+ 138.10391 126.3
[M]- 138.10501 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

literature stripe

Patent stripe

patents stripe