CID 23009326

1240527-13-2

Structural Information

Molecular Formula
C5H6N2O3
SMILES
CC1=NN=C(O1)CC(=O)O
InChI
InChI=1S/C5H6N2O3/c1-3-6-7-4(10-3)2-5(8)9/h2H2,1H3,(H,8,9)
InChIKey
NMZOVEKBDTVUDI-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,3,4-oxadiazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

142.03784 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.045116 124.8
[M+Na]+ 165.027058 134.2
[M-H]- 141.030564 125.6
[M+NH4]+ 160.071663 143.5
[M+K]+ 181.000998 134.7
[M+H-H2O]+ 125.035100 118.5
[M+HCOO]- 187.036041 146.2
[M+CH3COO]- 201.051691 169.2
[M+Na-2H]- 163.012506 131.1
[M]+ 142.03729142 127.0
[M]- 142.03838858 127.0
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

patents stripe