CID 138672

1-cyclopentene-1-carbaldehyde

Structural Information

Molecular Formula
C6H8O
SMILES
C1CC=C(C1)C=O
InChI
InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h3,5H,1-2,4H2
InChIKey
RALDHUZFXJKFQB-UHFFFAOYSA-N
Compound name
cyclopentene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

623
Patents

96.05752 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 117.9
[M+Na]+ 119.04674 129.1
[M+NH4]+ 114.09134 127.4
[M+K]+ 135.02068 124.5
[M-H]- 95.050244 119.5
[M+Na-2H]- 117.03219 124.0
[M]+ 96.056971 119.8
[M]- 96.058069 119.8
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