CID 115705

64037-59-8

Structural Information

Molecular Formula

C₇H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C7H16N2O2/c1-5-7(2,9(10)11)6-8(3)4/h5-6H2,1-4H3

InChIKey

YZTFVZHIZMPERX-UHFFFAOYSA-N

Compound name

N,N,2-trimethyl-2-nitrobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 160.12119 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]+	161.12847	134.0
[M+Na]+	183.11041	143.7
[M+NH4]+	178.15501	141.6
[M+K]+	199.08435	142.1
[M-H]-	159.11391	135.0
[M+Na-2H]-	181.09586	137.6
[M]+	160.12064	135.4
[M]-	160.12174	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe