CID 23510138

2-(cyclopropylamino)acetonitrile

Structural Information

Molecular Formula
C5H8N2
SMILES
C1CC1NCC#N
InChI
InChI=1S/C5H8N2/c6-3-4-7-5-1-2-5/h5,7H,1-2,4H2
InChIKey
FSDQBPDUZVGCQQ-UHFFFAOYSA-N
Compound name
2-(cyclopropylamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

96.06875 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 121.1
[M+Na]+ 119.05797 132.2
[M+NH4]+ 114.10257 127.1
[M+K]+ 135.03191 125.1
[M-H]- 95.061474 122.2
[M+Na-2H]- 117.04342 127.0
[M]+ 96.068201 123.0
[M]- 96.069299 123.0
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

patents stripe