CID 7508

3-cyclohexene-1-carboxaldehyde

Structural Information

Molecular Formula
C7H10O
SMILES
C1CC(CC=C1)C=O
InChI
InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2
InChIKey
DCFDVJPDXYGCOK-UHFFFAOYSA-N
Compound name
cyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

30
References

3564
Patents

110.073166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 121.3
[M+Na]+ 133.06238 133.6
[M+NH4]+ 128.10699 131.0
[M+K]+ 149.03632 126.7
[M-H]- 109.06589 123.8
[M+Na-2H]- 131.04783 128.4
[M]+ 110.07262 123.7
[M]- 110.07371 123.7
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