CID 8015

109-82-0

Structural Information

Molecular Formula
C3H4N2
SMILES
C=NCC#N
InChI
InChI=1S/C3H4N2/c1-5-3-2-4/h1,3H2
InChIKey
GFZMFCVDDFHSJK-UHFFFAOYSA-N
Compound name
2-(methylideneamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

615
Patents

68.037445 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 69.044721 108.3
[M+Na]+ 91.026663 118.2
[M-H]- 67.030169 110.8
[M+NH4]+ 86.071268 130.8
[M+K]+ 107.00060 118.8
[M+H-H2O]+ 51.034705 97.4
[M+HCOO]- 113.03565 131.9
[M+CH3COO]- 127.05130 179.8
[M+Na-2H]- 89.012111 117.4
[M]+ 68.036896 103.9
[M]- 68.037994 103.9
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.