CID 167725300

2-(methoxymethyl)-1,4,5,6-tetrahydropyrimidine-4-carboxylicacid

Structural Information

Molecular Formula
C7H12N2O3
SMILES
COCC1=NCCC(N1)C(=O)O
InChI
InChI=1S/C7H12N2O3/c1-12-4-6-8-3-2-5(9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
InChIKey
XKIUMSWNFCRINB-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0848 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09208 136.8
[M+Na]+ 195.07402 143.0
[M-H]- 171.07752 134.5
[M+NH4]+ 190.11862 152.8
[M+K]+ 211.04796 141.4
[M+H-H2O]+ 155.08206 130.0
[M+HCOO]- 217.08300 153.3
[M+CH3COO]- 231.09865 173.5
[M+Na-2H]- 193.05947 141.1
[M]+ 172.08425 133.7
[M]- 172.08535 133.7
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.