CID 13002

Glycidaldehyde

Structural Information

Molecular Formula
C3H4O2
SMILES
C1C(O1)C=O
InChI
InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2
InChIKey
IWYRWIUNAVNFPE-UHFFFAOYSA-N
Compound name
oxirane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

27
References

2818
Patents

72.021126 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.028402 110.0
[M+Na]+ 95.010344 120.8
[M-H]- 71.013850 116.0
[M+NH4]+ 90.054949 128.3
[M+K]+ 110.98428 121.5
[M+H-H2O]+ 55.018386 104.7
[M+HCOO]- 117.01933 134.7
[M+CH3COO]- 131.03498 163.7
[M+Na-2H]- 92.995792 120.3
[M]+ 72.020577 114.1
[M]- 72.021675 114.1
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