CID 84134

Tert-butylazomethine

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

CC(C)(C)N=C

InChI

InChI=1S/C5H11N/c1-5(2,3)6-4/h4H2,1-3H3

InChIKey

RSUCYDXEFFBUSN-UHFFFAOYSA-N

Compound name

N-tert-butylmethanimine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 158
Patents: 85.08915 Da
Monoisotopic Mass: 2.3
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]+	86.096426	115.6
[M+Na]+	108.078368	123.7
[M-H]-	84.081874	118.0
[M+NH4]+	103.122973	140.4
[M+K]+	124.052308	124.6
[M+H-H2O]+	68.086410	111.9
[M+HCOO]-	130.087351	141.0
[M+CH3COO]-	144.103001	170.4
[M+Na-2H]-	106.063816	124.8
[M]+	85.08860142	116.5
[M]-	85.08969858	116.5

Literature stripe

literature stripe

Patent stripe

patents stripe