CID 59591427

88742-93-2

Structural Information

Molecular Formula

C₁₁H₁₁N₃S

SMILES

C1CC1(C2=CC=CC=C2)C3=NN=C(S3)N

InChI

InChI=1S/C11H11N3S/c12-10-14-13-9(15-10)11(6-7-11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,14)

InChIKey

XGCRKKXNDQBJGR-UHFFFAOYSA-N

Compound name

5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 217.06737 Da
Monoisotopic Mass: 2.3
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]+	218.07465	142.8
[M+Na]+	240.05659	154.0
[M-H]-	216.06009	150.8
[M+NH4]+	235.10119	157.7
[M+K]+	256.03053	149.6
[M+H-H2O]+	200.06463	135.8
[M+HCOO]-	262.06557	162.5
[M+CH3COO]-	276.08122	155.8
[M+Na-2H]-	238.04204	147.2
[M]+	217.06682	145.2
[M]-	217.06792	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe