CID 10906

Tert-butyl nitrite

Structural Information

Molecular Formula

SMILES

CC(C)(C)ON=O

InChI

InChI=1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3

InChIKey

IOGXOCVLYRDXLW-UHFFFAOYSA-N

Compound name

tert-butyl nitrite

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 22
References: 27269
Patents: 103.06333 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]+	104.07061	118.5
[M+Na]+	126.05255	128.5
[M+NH4]+	121.09715	126.4
[M+K]+	142.02649	124.4
[M-H]-	102.05605	118.1
[M+Na-2H]-	124.03800	123.3
[M]+	103.06278	119.6
[M]-	103.06388	119.6

Literature stripe

literature stripe

Patent stripe

patents stripe