CID 86049368

3-(3-methyl-3h-diazirin-3-yl)propanal

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC1(N=N1)CCC=O
InChI
InChI=1S/C5H8N2O/c1-5(6-7-5)3-2-4-8/h4H,2-3H2,1H3
InChIKey
ZGRVTNQAZFVQHA-UHFFFAOYSA-N
Compound name
3-(3-methyldiazirin-3-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 125.2
[M+Na]+ 135.05288 138.7
[M+NH4]+ 130.09748 134.7
[M+K]+ 151.02682 132.6
[M-H]- 111.05638 132.0
[M+Na-2H]- 133.03833 135.1
[M]+ 112.06311 130.2
[M]- 112.06421 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.