CID 137965793

2-(4-methylmorpholin-3-yl)pyrimidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CN1CCOCC1C2=NC=CC(=N2)C(=O)O
InChI
InChI=1S/C10H13N3O3/c1-13-4-5-16-6-8(13)9-11-3-2-7(12-9)10(14)15/h2-3,8H,4-6H2,1H3,(H,14,15)
InChIKey
FBFAXSSRJUQNHP-UHFFFAOYSA-N
Compound name
2-(4-methylmorpholin-3-yl)pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 149.9
[M+Na]+ 246.08491 156.5
[M-H]- 222.08841 151.4
[M+NH4]+ 241.12951 161.6
[M+K]+ 262.05885 155.1
[M+H-H2O]+ 206.09295 140.6
[M+HCOO]- 268.09389 164.6
[M+CH3COO]- 282.10954 185.4
[M+Na-2H]- 244.07036 154.5
[M]+ 223.09514 147.2
[M]- 223.09624 147.2
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.