CID 1647

3-aminopropionitrile

Structural Information

Molecular Formula
C3H6N2
SMILES
C(CN)C#N
InChI
InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
InChIKey
AGSPXMVUFBBBMO-UHFFFAOYSA-N
Compound name
3-aminopropanenitrile
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1053
References

10037
Patents

70.0531 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.060376 110.8
[M+Na]+ 93.042318 120.1
[M-H]- 69.045824 111.6
[M+NH4]+ 88.086923 132.4
[M+K]+ 109.01626 120.1
[M+H-H2O]+ 53.050360 100.1
[M+HCOO]- 115.05130 132.3
[M+CH3COO]- 129.06695 177.5
[M+Na-2H]- 91.027766 118.5
[M]+ 70.052551 104.4
[M]- 70.053649 104.4
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