CID 762709

4-(1-adamantyl)-3-thiosemicarbazide

Structural Information

Molecular Formula

C₁₁H₁₉N₃S

SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NN

InChI

InChI=1S/C11H19N3S/c12-14-10(15)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6,12H2,(H2,13,14,15)

InChIKey

XIOUDVJTOYVRTB-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)-3-aminothiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 14672
Patents: 225.12997 Da
Monoisotopic Mass: 1.9
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]+	226.13725	143.7
[M+Na]+	248.11919	149.1
[M+NH4]+	243.16379	156.2
[M+K]+	264.09313	139.3
[M-H]-	224.12269	142.7
[M+Na-2H]-	246.10464	141.5
[M]+	225.12942	144.4
[M]-	225.13052	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe