CID 4250217

Cyclohept-1-ene-1-carbaldehyde

Structural Information

Molecular Formula
C8H12O
SMILES
C1CCC=C(CC1)C=O
InChI
InChI=1S/C8H12O/c9-7-8-5-3-1-2-4-6-8/h5,7H,1-4,6H2
InChIKey
XFXBZUGAKSVCJA-UHFFFAOYSA-N
Compound name
cycloheptene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

124.08881 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 122.6
[M+Na]+ 147.07803 132.5
[M+NH4]+ 142.12263 131.1
[M+K]+ 163.05197 127.7
[M-H]- 123.08153 124.6
[M+Na-2H]- 145.06348 129.3
[M]+ 124.08826 124.5
[M]- 124.08936 124.5
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