CID 1809376

4-isopropyl-3-thiosemicarbazide

Structural Information

Molecular Formula

C₄H₁₁N₃S

SMILES

CC(C)NC(=S)NN

InChI

InChI=1S/C4H11N3S/c1-3(2)6-4(8)7-5/h3H,5H2,1-2H3,(H2,6,7,8)

InChIKey

WMFXGKCDSJXKHO-UHFFFAOYSA-N

Compound name

1-amino-3-propan-2-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 133.06737 Da
Monoisotopic Mass: 0.0
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]+	134.07465	127.9
[M+Na]+	156.05659	133.1
[M-H]-	132.06009	127.9
[M+NH4]+	151.10119	148.9
[M+K]+	172.03053	131.9
[M+H-H2O]+	116.06463	122.0
[M+HCOO]-	178.06557	146.9
[M+CH3COO]-	192.08122	178.4
[M+Na-2H]-	154.04204	129.7
[M]+	133.06682	124.6
[M]-	133.06792	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe