CID 20531563

2,3-diaminopropanenitrile dihydrochloride

Structural Information

Molecular Formula
C3H7N3
SMILES
C(C(C#N)N)N
InChI
InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2
InChIKey
AHHLOPQSUMHMJL-UHFFFAOYSA-N
Compound name
2,3-diaminopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

85.063995 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.071271 117.6
[M+Na]+ 108.05321 125.6
[M-H]- 84.056719 117.7
[M+NH4]+ 103.09782 137.8
[M+K]+ 124.02715 126.0
[M+H-H2O]+ 68.061255 106.3
[M+HCOO]- 130.06220 138.3
[M+CH3COO]- 144.07785 182.1
[M+Na-2H]- 106.03866 122.8
[M]+ 85.063446 108.8
[M]- 85.064544 108.8
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