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 157.8
[M+Na]+ 280.07262 164.2
[M-H]- 256.07612 157.5
[M+NH4]+ 275.11722 173.3
[M+K]+ 296.04656 161.5
[M+H-H2O]+ 240.08066 150.3
[M+HCOO]- 302.08160 173.4
[M+CH3COO]- 316.09725 192.4
[M+Na-2H]- 278.05807 157.0
[M]+ 257.08285 161.2
[M]- 257.08395 161.2
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.