CID 20099154

5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CN(C)CC1=CC(=NO1)C(=O)O
InChI
InChI=1S/C7H10N2O3/c1-9(2)4-5-3-6(7(10)11)8-12-5/h3H,4H2,1-2H3,(H,10,11)
InChIKey
OZAJCZWONVXBKU-UHFFFAOYSA-N
Compound name
5-[(dimethylamino)methyl]-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

170.06914 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 134.1
[M+Na]+ 193.05836 142.0
[M-H]- 169.06186 137.6
[M+NH4]+ 188.10296 153.4
[M+K]+ 209.03230 143.4
[M+H-H2O]+ 153.06640 127.8
[M+HCOO]- 215.06734 157.7
[M+CH3COO]- 229.08299 180.9
[M+Na-2H]- 191.04381 139.2
[M]+ 170.06859 137.0
[M]- 170.06969 137.0
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.