CID 134568

Ent 6249a

Structural Information

Molecular Formula

C₆H₁₄N₃PS

SMILES

CN(C)P(=S)(N1CC1)N2CC2

InChI

InChI=1S/C6H14N3PS/c1-7(2)10(11,8-3-4-8)9-5-6-9/h3-6H2,1-2H3

InChIKey

IXOXBOSWSMBIRQ-UHFFFAOYSA-N

Compound name

N-[bis(aziridin-1-yl)phosphinothioyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 191.0646 Da
Monoisotopic Mass: 1.3
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]+	192.071876	154.6
[M+Na]+	214.053818	161.5
[M-H]-	190.057324	159.2
[M+NH4]+	209.098423	161.7
[M+K]+	230.027758	159.7
[M+H-H2O]+	174.061860	145.0
[M+HCOO]-	236.062801	173.8
[M+CH3COO]-	250.078451	199.4
[M+Na-2H]-	212.039266	153.3
[M]+	191.06405142	159.4
[M]-	191.06514858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe