CID 1810294

[3-(dimethylamino)propyl]thiourea

Structural Information

Molecular Formula

C₆H₁₅N₃S

SMILES

CN(C)CCCNC(=S)N

InChI

InChI=1S/C6H15N3S/c1-9(2)5-3-4-8-6(7)10/h3-5H2,1-2H3,(H3,7,8,10)

InChIKey

QCGUXRFTJDHKTF-UHFFFAOYSA-N

Compound name

3-(dimethylamino)propylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 177
Patents: 161.09866 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]+	162.10594	136.2
[M+Na]+	184.08788	141.0
[M-H]-	160.09138	137.3
[M+NH4]+	179.13248	156.8
[M+K]+	200.06182	140.1
[M+H-H2O]+	144.09592	129.7
[M+HCOO]-	206.09686	156.1
[M+CH3COO]-	220.11251	187.7
[M+Na-2H]-	182.07333	137.6
[M]+	161.09811	135.7
[M]-	161.09921	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe