CID 62381001

N-(pyrrolidin-3-yl)pyrimidin-2-amine

Structural Information

Molecular Formula
C8H12N4
SMILES
C1CNCC1NC2=NC=CC=N2
InChI
InChI=1S/C8H12N4/c1-3-10-8(11-4-1)12-7-2-5-9-6-7/h1,3-4,7,9H,2,5-6H2,(H,10,11,12)
InChIKey
YDGWWNRXHXZWPS-UHFFFAOYSA-N
Compound name
N-pyrrolidin-3-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

164.1062 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.113476 133.9
[M+Na]+ 187.095418 139.6
[M-H]- 163.098924 134.6
[M+NH4]+ 182.140023 150.6
[M+K]+ 203.069358 136.5
[M+H-H2O]+ 147.103460 124.8
[M+HCOO]- 209.104401 153.7
[M+CH3COO]- 223.120051 145.3
[M+Na-2H]- 185.080866 140.5
[M]+ 164.10565142 127.7
[M]- 164.10674858 127.7
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

patents stripe