CID 56686577

1-(pyrimidin-2-yl)pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C8H12N4
SMILES
C1CN(CC1N)C2=NC=CC=N2
InChI
InChI=1S/C8H12N4/c9-7-2-5-12(6-7)8-10-3-1-4-11-8/h1,3-4,7H,2,5-6,9H2
InChIKey
JHXYAXSRWKFHEG-UHFFFAOYSA-N
Compound name
1-pyrimidin-2-ylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

164.1062 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.11348 134.4
[M+Na]+ 187.09542 141.7
[M-H]- 163.09892 136.5
[M+NH4]+ 182.14002 152.0
[M+K]+ 203.06936 139.0
[M+H-H2O]+ 147.10346 125.4
[M+HCOO]- 209.10440 155.2
[M+CH3COO]- 223.12005 146.7
[M+Na-2H]- 185.08087 139.8
[M]+ 164.10565 129.6
[M]- 164.10675 129.6
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