CID 87945

19155-54-5

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

CC(C)(CN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C6H14N2O2/c1-6(2,8(9)10)5-7(3)4/h5H2,1-4H3

InChIKey

NAOOJIDHHYTBND-UHFFFAOYSA-N

Compound name

N,N,2-trimethyl-2-nitropropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 146.10553 Da
Monoisotopic Mass: 0.7
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]+	147.112806	130.1
[M+Na]+	169.094748	136.5
[M-H]-	145.098254	132.2
[M+NH4]+	164.139353	151.4
[M+K]+	185.068688	134.2
[M+H-H2O]+	129.102790	130.3
[M+HCOO]-	191.103731	155.3
[M+CH3COO]-	205.119381	176.9
[M+Na-2H]-	167.080196	138.5
[M]+	146.10498142	130.3
[M]-	146.10607858	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe