CID 9738

Mipafox

Structural Information

Molecular Formula

C₆H₁₆FN₂OP

SMILES

CC(C)NP(=O)(NC(C)C)F

InChI

InChI=1S/C6H16FN2OP/c1-5(2)8-11(7,10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)

InChIKey

UOSHUBFBCPGQAY-UHFFFAOYSA-N

Compound name

N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 120
References: 5481
Patents: 182.09843 Da
Monoisotopic Mass: 1.0
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]+	183.10571	143.7
[M+Na]+	205.08765	148.9
[M-H]-	181.09115	141.5
[M+NH4]+	200.13225	163.6
[M+K]+	221.06159	149.1
[M+H-H2O]+	165.09569	135.6
[M+HCOO]-	227.09663	170.3
[M+CH3COO]-	241.11228	189.6
[M+Na-2H]-	203.07310	144.8
[M]+	182.09788	142.6
[M]-	182.09898	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe