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]+ 168.113146 137.0
[M+Na]+ 190.095088 144.3
[M-H]- 166.098594 136.2
[M+NH4]+ 185.139693 153.8
[M+K]+ 206.069028 142.0
[M+H-H2O]+ 150.103130 129.8
[M+HCOO]- 212.104071 157.5
[M+CH3COO]- 226.119721 179.3
[M+Na-2H]- 188.080536 142.7
[M]+ 167.10532142 135.1
[M]- 167.10641858 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.