CID 80615517

1517946-82-5

Structural Information

Molecular Formula

C₇H₁₀N₄OS

SMILES

C1CCN(C1)C(=O)C2=NN=C(S2)N

InChI

InChI=1S/C7H10N4OS/c8-7-10-9-5(13-7)6(12)11-3-1-2-4-11/h1-4H2,(H2,8,10)

InChIKey

QKBSBVOFJCRAOR-UHFFFAOYSA-N

Compound name

(5-amino-1,3,4-thiadiazol-2-yl)-pyrrolidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 198.05753 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.06481	141.6
[M+Na]+	221.04675	150.0
[M-H]-	197.05025	144.8
[M+NH4]+	216.09135	160.5
[M+K]+	237.02069	148.1
[M+H-H2O]+	181.05479	134.0
[M+HCOO]-	243.05573	158.1
[M+CH3COO]-	257.07138	154.0
[M+Na-2H]-	219.03220	140.5
[M]+	198.05698	139.9
[M]-	198.05808	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe