CID 11521126

Azidomethyl 2,2-dimethylpropanoate

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

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

InChI

InChI=1S/C6H11N3O2/c1-6(2,3)5(10)11-4-8-9-7/h4H2,1-3H3

InChIKey

MEJGIRNNNFPMOX-UHFFFAOYSA-N

Compound name

azidomethyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 378
Patents: 157.08513 Da
Monoisotopic Mass: 2.5
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]+	158.09241	132.0
[M+Na]+	180.07435	141.7
[M+NH4]+	175.11895	139.2
[M+K]+	196.04829	139.3
[M-H]-	156.07785	133.5
[M+Na-2H]-	178.05980	136.2
[M]+	157.08458	133.4
[M]-	157.08568	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe