CID 119095753

2-(3-methyl-3h-diazirin-3-yl)acetaldehyde

Structural Information

Molecular Formula
C4H6N2O
SMILES
CC1(N=N1)CC=O
InChI
InChI=1S/C4H6N2O/c1-4(2-3-7)5-6-4/h3H,2H2,1H3
InChIKey
GFLJNYQMIIBKIE-UHFFFAOYSA-N
Compound name
2-(3-methyldiazirin-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

98.04801 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 125.0
[M+Na]+ 121.037228 137.0
[M-H]- 97.040734 127.7
[M+NH4]+ 116.081833 142.9
[M+K]+ 137.011168 136.0
[M+H-H2O]+ 81.045270 119.1
[M+HCOO]- 143.046211 148.8
[M+CH3COO]- 157.061861 169.2
[M+Na-2H]- 119.022676 134.9
[M]+ 98.04746142 130.0
[M]- 98.04855858 130.0
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

No patent data available for this compound.