CID 118115

Aziridine-2-carbonitrile

Structural Information

Molecular Formula
C3H4N2
SMILES
C1C(N1)C#N
InChI
InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2
InChIKey
PGZUFTROELAOMP-UHFFFAOYSA-N
Compound name
aziridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

156
Patents

68.037445 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 69.044721 108.7
[M+Na]+ 91.026663 124.2
[M-H]- 67.030169 112.7
[M+NH4]+ 86.071268 126.3
[M+K]+ 107.00060 119.6
[M+H-H2O]+ 51.034705 99.2
[M+HCOO]- 113.03565 129.6
[M+CH3COO]- 127.05130 176.0
[M+Na-2H]- 89.012111 118.8
[M]+ 68.036896 105.7
[M]- 68.037994 105.7
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.