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]+ 121.03723 137.0
[M-H]- 97.040734 127.7
[M+NH4]+ 116.08183 142.9
[M+K]+ 137.01117 136.0
[M+H-H2O]+ 81.045270 119.1
[M+HCOO]- 143.04621 148.8
[M+CH3COO]- 157.06186 169.2
[M+Na-2H]- 119.02268 134.9
[M]+ 98.047461 130.0
[M]- 98.048559 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.