CID 15561711

2839156-42-0

Structural Information

Molecular Formula
C5H7N3O3
SMILES
CN(C)C1=NN=C(O1)C(=O)O
InChI
InChI=1S/C5H7N3O3/c1-8(2)5-7-6-3(11-5)4(9)10/h1-2H3,(H,9,10)
InChIKey
ROXVCZPTUUZDQW-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-1,3,4-oxadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.04874 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.056016 128.9
[M+Na]+ 180.037958 137.6
[M-H]- 156.041464 131.3
[M+NH4]+ 175.082563 147.3
[M+K]+ 196.011898 139.4
[M+H-H2O]+ 140.046000 121.9
[M+HCOO]- 202.046941 151.9
[M+CH3COO]- 216.062591 177.7
[M+Na-2H]- 178.023406 134.9
[M]+ 157.04819142 131.6
[M]- 157.04928858 131.6
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.