CID 155978260

3-(aminomethyl)pyrrolidine-1-carbonitrile dihydrochloride

Structural Information

Molecular Formula
C6H11N3
SMILES
C1CN(CC1CN)C#N
InChI
InChI=1S/C6H11N3/c7-3-6-1-2-9(4-6)5-8/h6H,1-4,7H2
InChIKey
SPHPWNVHFXFYGT-UHFFFAOYSA-N
Compound name
3-(aminomethyl)pyrrolidine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.0953 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 128.9
[M+Na]+ 148.08452 137.7
[M+NH4]+ 143.12912 133.7
[M+K]+ 164.05846 131.0
[M-H]- 124.08802 122.8
[M+Na-2H]- 146.06997 130.7
[M]+ 125.09475 127.2
[M]- 125.09585 127.2
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.