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: 385
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	131.7
[M+Na]+	180.07435	138.5
[M-H]-	156.07785	135.2
[M+NH4]+	175.11895	153.1
[M+K]+	196.04829	135.3
[M+H-H2O]+	140.08239	131.2
[M+HCOO]-	202.08333	160.6
[M+CH3COO]-	216.09898	179.5
[M+Na-2H]-	178.05980	142.0
[M]+	157.08458	131.8
[M]-	157.08568	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe