CID 10901

Aminoacetonitrile

Structural Information

Molecular Formula
C2H4N2
SMILES
C(C#N)N
InChI
InChI=1S/C2H4N2/c3-1-2-4/h1,3H2
InChIKey
DFNYGALUNNFWKJ-UHFFFAOYSA-N
Compound name
2-aminoacetonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

370
References

12266
Patents

56.03745 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 57.044726 106.8
[M+Na]+ 79.026668 116.5
[M-H]- 55.030174 107.8
[M+NH4]+ 74.071273 128.9
[M+K]+ 95.000608 116.8
[M+H-H2O]+ 39.034710 96.3
[M+HCOO]- 101.03565 128.6
[M+CH3COO]- 115.05130 174.8
[M+Na-2H]- 77.012116 115.0
[M]+ 56.036901 100.1
[M]- 56.037999 100.1
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

patents stripe