CID 14143522

2-[(prop-2-yn-1-yl)amino]acetonitrile

Structural Information

Molecular Formula
C5H6N2
SMILES
C#CCNCC#N
InChI
InChI=1S/C5H6N2/c1-2-4-7-5-3-6/h1,7H,4-5H2
InChIKey
VKMQENXKRDPRHY-UHFFFAOYSA-N
Compound name
2-(prop-2-ynylamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

94.0531 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.060376 132.4
[M+Na]+ 117.042318 141.6
[M-H]- 93.045824 134.1
[M+NH4]+ 112.086923 147.7
[M+K]+ 133.016258 140.3
[M+H-H2O]+ 77.050360 118.9
[M+HCOO]- 139.051301 145.0
[M+CH3COO]- 153.066951 203.1
[M+Na-2H]- 115.027766 136.7
[M]+ 94.05255142 124.1
[M]- 94.05364858 124.1
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

patents stripe