CID 3065348

Succinamic acid, n-(1,3,4-thiadiazol-2-yl)-, allyl ester

Structural Information

Molecular Formula
C9H11N3O3S
SMILES
C=CCOC(=O)CCC(=O)NC1=NN=CS1
InChI
InChI=1S/C9H11N3O3S/c1-2-5-15-8(14)4-3-7(13)11-9-12-10-6-16-9/h2,6H,1,3-5H2,(H,11,12,13)
InChIKey
RKKXWBHYXFJQHG-UHFFFAOYSA-N
Compound name
prop-2-enyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05211 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05939 153.0
[M+Na]+ 264.04133 159.9
[M-H]- 240.04483 153.9
[M+NH4]+ 259.08593 169.5
[M+K]+ 280.01527 157.7
[M+H-H2O]+ 224.04937 145.3
[M+HCOO]- 286.05031 170.7
[M+CH3COO]- 300.06596 189.2
[M+Na-2H]- 262.02678 153.7
[M]+ 241.05156 156.8
[M]- 241.05266 156.8
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.