CID 5151427

3-amino-1-(3-methylbutyl)thiourea

Structural Information

Molecular Formula

C₆H₁₅N₃S

SMILES

CC(C)CCNC(=S)NN

InChI

InChI=1S/C6H15N3S/c1-5(2)3-4-8-6(10)9-7/h5H,3-4,7H2,1-2H3,(H2,8,9,10)

InChIKey

FZKZGTUNZFEOMN-UHFFFAOYSA-N

Compound name

1-amino-3-(3-methylbutyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 161.09866 Da
Monoisotopic Mass: 0.9
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]+	162.10594	136.6
[M+Na]+	184.08788	141.0
[M-H]-	160.09138	136.2
[M+NH4]+	179.13248	156.5
[M+K]+	200.06182	139.2
[M+H-H2O]+	144.09592	130.3
[M+HCOO]-	206.09686	154.9
[M+CH3COO]-	220.11251	184.5
[M+Na-2H]-	182.07333	137.5
[M]+	161.09811	134.1
[M]-	161.09921	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe