CID 138672

6140-65-4

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

984
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 116.5
[M+Na]+ 119.04674 124.4
[M-H]- 95.050244 120.1
[M+NH4]+ 114.09134 141.6
[M+K]+ 135.02068 123.7
[M+H-H2O]+ 79.054780 111.9
[M+HCOO]- 141.05572 141.8
[M+CH3COO]- 155.07137 164.0
[M+Na-2H]- 117.03219 123.1
[M]+ 96.056971 115.3
[M]- 96.058069 115.3
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