CID 19510

Thiohempa

Structural Information

Molecular Formula

C₆H₁₈N₃PS

SMILES

CN(C)P(=S)(N(C)C)N(C)C

InChI

InChI=1S/C6H18N3PS/c1-7(2)10(11,8(3)4)9(5)6/h1-6H3

InChIKey

NPKXLCMBIGGTTQ-UHFFFAOYSA-N

Compound name

N-[bis(dimethylamino)phosphinothioyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2973
Patents: 195.0959 Da
Monoisotopic Mass: 1.8
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]+	196.10318	142.8
[M+Na]+	218.08512	148.0
[M-H]-	194.08862	146.4
[M+NH4]+	213.12972	164.4
[M+K]+	234.05906	150.2
[M+H-H2O]+	178.09316	133.9
[M+HCOO]-	240.09410	169.3
[M+CH3COO]-	254.10975	202.5
[M+Na-2H]-	216.07057	142.5
[M]+	195.09535	147.7
[M]-	195.09645	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe