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 124.7
[M+Na]+ 148.08452 133.1
[M-H]- 124.08802 125.8
[M+NH4]+ 143.12912 144.4
[M+K]+ 164.05846 131.3
[M+H-H2O]+ 108.09256 111.7
[M+HCOO]- 170.09350 143.5
[M+CH3COO]- 184.10915 185.4
[M+Na-2H]- 146.06997 128.8
[M]+ 125.09475 115.8
[M]- 125.09585 115.8
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

No patent data available for this compound.