CID 138991302

2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol

Structural Information

Molecular Formula
C8H13N3O
SMILES
CC1=CN=C(N=C1)CC(CO)N
InChI
InChI=1S/C8H13N3O/c1-6-3-10-8(11-4-6)2-7(9)5-12/h3-4,7,12H,2,5,9H2,1H3
InChIKey
BMJCMEAWGNCZOF-UHFFFAOYSA-N
Compound name
2-amino-3-(5-methylpyrimidin-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 137.0
[M+Na]+ 190.09509 144.3
[M-H]- 166.09859 136.2
[M+NH4]+ 185.13969 153.8
[M+K]+ 206.06903 142.0
[M+H-H2O]+ 150.10313 129.8
[M+HCOO]- 212.10407 157.5
[M+CH3COO]- 226.11972 179.3
[M+Na-2H]- 188.08054 142.7
[M]+ 167.10532 135.1
[M]- 167.10642 135.1
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.