CID 68339

543-17-9

Structural Information

Molecular Formula

C₅H₁₃N₂O₃

SMILES

C[N+](C)(C)CCO[N+](=O)[O-]

InChI

InChI=1S/C5H13N2O3/c1-7(2,3)4-5-10-6(8)9/h4-5H2,1-3H3/q+1

InChIKey

BZKRACMUAUSOKR-UHFFFAOYSA-N

Compound name

trimethyl(2-nitrooxyethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 200
Patents: 149.09262 Da
Monoisotopic Mass: 0.6
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]+	150.09990	127.6
[M+Na]+	172.08184	134.5
[M-H]-	148.08534	130.0
[M+NH4]+	167.12644	148.5
[M+K]+	188.05578	126.7
[M+H-H2O]+	132.08988	130.7
[M+HCOO]-	194.09082	153.5
[M+CH3COO]-	208.10647	169.4
[M+Na-2H]-	170.06729	140.1
[M]+	149.09207	127.7
[M]-	149.09317	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe