CID 71691539

1351395-65-7

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC(C)C1=NN=C(O1)/C=C/C(=O)O
InChI
InChI=1S/C8H10N2O3/c1-5(2)8-10-9-6(13-8)3-4-7(11)12/h3-5H,1-2H3,(H,11,12)/b4-3+
InChIKey
CQPZNSOWDZTHBE-ONEGZZNKSA-N
Compound name
(E)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 138.2
[M+Na]+ 205.05836 146.5
[M-H]- 181.06186 138.7
[M+NH4]+ 200.10296 155.2
[M+K]+ 221.03230 146.1
[M+H-H2O]+ 165.06640 131.6
[M+HCOO]- 227.06734 157.8
[M+CH3COO]- 241.08299 177.7
[M+Na-2H]- 203.04381 141.7
[M]+ 182.06859 140.1
[M]- 182.06969 140.1
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.