CID 21885013

Schembl989575

Structural Information

Molecular Formula

C₁₃H₂₈NO

SMILES

CCCCCCCCCCCCCN[O-]

InChI

InChI=1S/C13H28NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3/q-1

InChIKey

QWLZFGGQZARHHJ-UHFFFAOYSA-N

Compound name

N-oxidotridecan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 367
Patents: 214.21709 Da
Monoisotopic Mass: 5.4
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]+	215.224366	158.3
[M+Na]+	237.206308	161.4
[M-H]-	213.209814	155.5
[M+NH4]+	232.250913	176.2
[M+K]+	253.180248	159.8
[M+H-H2O]+	197.214350	154.4
[M+HCOO]-	259.215291	180.5
[M+CH3COO]-	273.230941	192.2
[M+Na-2H]-	235.191756	160.7
[M]+	214.21654142	160.6
[M]-	214.21763858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.