CID 83681717

2-(3-aminopyrrolidin-3-yl)acetonitrile dihydrochloride

Structural Information

Molecular Formula
C6H11N3
SMILES
C1CNCC1(CC#N)N
InChI
InChI=1S/C6H11N3/c7-3-1-6(8)2-4-9-5-6/h9H,1-2,4-5,8H2
InChIKey
HUIGZWUQSQWMLX-UHFFFAOYSA-N
Compound name
2-(3-aminopyrrolidin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.0953 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 126.3
[M+Na]+ 148.08452 134.7
[M-H]- 124.08802 126.4
[M+NH4]+ 143.12912 147.0
[M+K]+ 164.05846 131.6
[M+H-H2O]+ 108.09256 114.2
[M+HCOO]- 170.09350 143.9
[M+CH3COO]- 184.10915 181.7
[M+Na-2H]- 146.06997 131.6
[M]+ 125.09475 115.7
[M]- 125.09585 115.7
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

No patent data available for this compound.