CID 97620365

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1h-imidazol-1-yl]acetic acid hydrochloride

Structural Information

Molecular Formula
C8H8N4O3
SMILES
CC1=NOC(=N1)C2=CN(C=N2)CC(=O)O
InChI
InChI=1S/C8H8N4O3/c1-5-10-8(15-11-5)6-2-12(4-9-6)3-7(13)14/h2,4H,3H2,1H3,(H,13,14)
InChIKey
MJNHEMAOQZGQJH-UHFFFAOYSA-N
Compound name
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.05965 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06693 140.1
[M+Na]+ 231.04887 151.2
[M-H]- 207.05237 142.5
[M+NH4]+ 226.09347 155.2
[M+K]+ 247.02281 150.2
[M+H-H2O]+ 191.05691 131.9
[M+HCOO]- 253.05785 161.4
[M+CH3COO]- 267.07350 181.3
[M+Na-2H]- 229.03432 144.2
[M]+ 208.05910 144.5
[M]- 208.06020 144.5
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.