CID 15689285

135614-99-2

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N(C)CC1CO1

InChI

InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10(4)5-7-6-12-7/h7H,5-6H2,1-4H3

InChIKey

AVKOEXHSNVCYRF-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-(oxiran-2-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 187.12085 Da
Monoisotopic Mass: 0.8
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]+	188.128126	143.0
[M+Na]+	210.110068	151.0
[M-H]-	186.113574	149.7
[M+NH4]+	205.154673	157.4
[M+K]+	226.084008	152.2
[M+H-H2O]+	170.118110	136.9
[M+HCOO]-	232.119051	165.1
[M+CH3COO]-	246.134701	190.2
[M+Na-2H]-	208.095516	149.1
[M]+	187.12030142	150.0
[M]-	187.12139858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe