CID 3061860

N-(5-butyl-1,3,4-thiadiazol-2-yl)succinamic acid

Structural Information

Molecular Formula
C10H15N3O3S
SMILES
CCCCC1=NN=C(S1)NC(=O)CCC(=O)O
InChI
InChI=1S/C10H15N3O3S/c1-2-3-4-8-12-13-10(17-8)11-7(14)5-6-9(15)16/h2-6H2,1H3,(H,15,16)(H,11,13,14)
InChIKey
GPESXKQLEUUTQN-UHFFFAOYSA-N
Compound name
4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0834 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09068 159.1
[M+Na]+ 280.07262 166.1
[M+NH4]+ 275.11722 163.9
[M+K]+ 296.04656 162.5
[M-H]- 256.07612 157.2
[M+Na-2H]- 278.05807 160.4
[M]+ 257.08285 159.4
[M]- 257.08395 159.4
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.