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

15
Patents

164.1062 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.11348 133.9
[M+Na]+ 187.09542 139.6
[M-H]- 163.09892 134.6
[M+NH4]+ 182.14002 150.6
[M+K]+ 203.06936 136.5
[M+H-H2O]+ 147.10346 124.8
[M+HCOO]- 209.10440 153.7
[M+CH3COO]- 223.12005 145.3
[M+Na-2H]- 185.08087 140.5
[M]+ 164.10565 127.7
[M]- 164.10675 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