CID 145802

2-cyclopropyl-2-oxoacetaldehyde

Structural Information

Molecular Formula
C5H6O2
SMILES
C1CC1C(=O)C=O
InChI
InChI=1S/C5H6O2/c6-3-5(7)4-1-2-4/h3-4H,1-2H2
InChIKey
PHGZFKPNFFEOIR-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-oxoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

98.03678 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.044056 117.6
[M+Na]+ 121.02600 127.5
[M-H]- 97.029504 122.7
[M+NH4]+ 116.07060 135.9
[M+K]+ 136.99994 126.3
[M+H-H2O]+ 81.034040 112.3
[M+HCOO]- 143.03498 141.9
[M+CH3COO]- 157.05063 169.5
[M+Na-2H]- 119.01145 124.5
[M]+ 98.036231 120.5
[M]- 98.037329 120.5
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