CID 61736984

4-(propan-2-yl)morpholine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

CC(C)N1CCOC(C1)C(=O)O

InChI

InChI=1S/C8H15NO3/c1-6(2)9-3-4-12-7(5-9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)

InChIKey

NMTRSLHTZCJJBW-UHFFFAOYSA-N

Compound name

4-propan-2-ylmorpholine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 173.1052 Da
Monoisotopic Mass: -2.0
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]+	174.112476	138.2
[M+Na]+	196.094418	143.2
[M-H]-	172.097924	139.1
[M+NH4]+	191.139023	154.9
[M+K]+	212.068358	144.0
[M+H-H2O]+	156.102460	132.0
[M+HCOO]-	218.103401	153.8
[M+CH3COO]-	232.119051	177.6
[M+Na-2H]-	194.079866	141.2
[M]+	173.10465142	135.4
[M]-	173.10574858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe