CID 62347574

3-(pyrimidin-2-yloxy)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C7H11N3O
SMILES
C1=CN=C(N=C1)OCCCN
InChI
InChI=1S/C7H11N3O/c8-3-1-6-11-7-9-4-2-5-10-7/h2,4-5H,1,3,6,8H2
InChIKey
AMFQYEHVISAILF-UHFFFAOYSA-N
Compound name
3-pyrimidin-2-yloxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

153.09021 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 131.0
[M+Na]+ 176.07943 138.4
[M-H]- 152.08293 131.2
[M+NH4]+ 171.12403 148.8
[M+K]+ 192.05337 136.8
[M+H-H2O]+ 136.08747 123.3
[M+HCOO]- 198.08841 154.3
[M+CH3COO]- 212.10406 176.8
[M+Na-2H]- 174.06488 139.7
[M]+ 153.08966 130.9
[M]- 153.09076 130.9
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

No patent data available for this compound.