CID 4574914

Refchem:575715

Structural Information

Molecular Formula

C₇H₁₇ClNOP

SMILES

CC(C)N(C(C)C)P(OC)Cl

InChI

InChI=1S/C7H17ClNOP/c1-6(2)9(7(3)4)11(8)10-5/h6-7H,1-5H3

InChIKey

VOVWQRQDSCYAEA-UHFFFAOYSA-N

Compound name

N-[chloro(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 364
Patents: 197.07362 Da
Monoisotopic Mass: 2.6
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]+	198.08090	146.3
[M+Na]+	220.06284	152.4
[M-H]-	196.06634	146.9
[M+NH4]+	215.10744	167.6
[M+K]+	236.03678	152.4
[M+H-H2O]+	180.07088	140.0
[M+HCOO]-	242.07182	169.3
[M+CH3COO]-	256.08747	193.9
[M+Na-2H]-	218.04829	144.5
[M]+	197.07307	151.7
[M]-	197.07417	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe