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]+ 154.097486 131.0
[M+Na]+ 176.079428 138.4
[M-H]- 152.082934 131.2
[M+NH4]+ 171.124033 148.8
[M+K]+ 192.053368 136.8
[M+H-H2O]+ 136.087470 123.3
[M+HCOO]- 198.088411 154.3
[M+CH3COO]- 212.104061 176.8
[M+Na-2H]- 174.064876 139.7
[M]+ 153.08966142 130.9
[M]- 153.09075858 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.