CID 22342783

833474-06-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₄

SMILES

CC(C)(C)OC(=O)N1CCOCC1C=O

InChI

InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h6,8H,4-5,7H2,1-3H3

InChIKey

MOLHQYMJBRBXAN-UHFFFAOYSA-N

Compound name

tert-butyl 3-formylmorpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 215.11575 Da
Monoisotopic Mass: 0.3
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]+	216.123026	147.4
[M+Na]+	238.104968	153.1
[M-H]-	214.108474	149.7
[M+NH4]+	233.149573	163.5
[M+K]+	254.078908	154.3
[M+H-H2O]+	198.113010	141.3
[M+HCOO]-	260.113951	163.9
[M+CH3COO]-	274.129601	184.9
[M+Na-2H]-	236.090416	152.2
[M]+	215.11520142	148.0
[M]-	215.11629858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe