CID 3065350

Succinamic acid, n-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, methyl ester

Structural Information

Molecular Formula
C10H15N3O3S
SMILES
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)OC
InChI
InChI=1S/C10H15N3O3S/c1-6(2)9-12-13-10(17-9)11-7(14)4-5-8(15)16-3/h6H,4-5H2,1-3H3,(H,11,13,14)
InChIKey
DBRITJQSFBBWFM-UHFFFAOYSA-N
Compound name
methyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0834 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09068 159.0
[M+Na]+ 280.07262 166.2
[M+NH4]+ 275.11722 164.1
[M+K]+ 296.04656 163.1
[M-H]- 256.07612 157.4
[M+Na-2H]- 278.05807 160.6
[M]+ 257.08285 159.5
[M]- 257.08395 159.5
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.