CID 118892

35944-84-4

Structural Information

Molecular Formula

C₄H₁₂NO₂PS

SMILES

CC(C)OP(=S)(NC)O

InChI

InChI=1S/C4H12NO2PS/c1-4(2)7-8(6,9)5-3/h4H,1-3H3,(H2,5,6,9)

InChIKey

GOJZIJSNLBSSCK-UHFFFAOYSA-N

Compound name

N-[hydroxy(propan-2-yloxy)phosphinothioyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 169.03264 Da
Monoisotopic Mass: 1.2
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]+	170.03992	135.0
[M+Na]+	192.02186	141.3
[M-H]-	168.02536	133.0
[M+NH4]+	187.06646	155.5
[M+K]+	207.99580	140.3
[M+H-H2O]+	152.02990	127.9
[M+HCOO]-	214.03084	156.9
[M+CH3COO]-	228.04649	178.3
[M+Na-2H]-	190.00731	135.4
[M]+	169.03209	137.1
[M]-	169.03319	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe