CID 14397405

N-(3-aminopropyl)pyrimidin-2-amine

Structural Information

Molecular Formula
C7H12N4
SMILES
C1=CN=C(N=C1)NCCCN
InChI
InChI=1S/C7H12N4/c8-3-1-4-9-7-10-5-2-6-11-7/h2,5-6H,1,3-4,8H2,(H,9,10,11)
InChIKey
FHYDQGOVTLQZSZ-UHFFFAOYSA-N
Compound name
N'-pyrimidin-2-ylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

152.1062 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 131.2
[M+Na]+ 175.09542 142.2
[M+NH4]+ 170.14002 138.8
[M+K]+ 191.06936 136.2
[M-H]- 151.09892 133.2
[M+Na-2H]- 173.08087 138.5
[M]+ 152.10565 133.0
[M]- 152.10675 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe