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

106
Patents

152.1062 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.113476 131.2
[M+Na]+ 175.095418 137.8
[M-H]- 151.098924 131.4
[M+NH4]+ 170.140023 148.7
[M+K]+ 191.069358 135.6
[M+H-H2O]+ 135.103460 123.3
[M+HCOO]- 197.104401 155.3
[M+CH3COO]- 211.120051 179.7
[M+Na-2H]- 173.080866 140.4
[M]+ 152.10565142 128.9
[M]- 152.10674858 128.9
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