CID 68758426

1-morpholinocyclopropanecarboxylic acid

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

C1CC1(C(=O)O)N2CCOCC2

InChI

InChI=1S/C8H13NO3/c10-7(11)8(1-2-8)9-3-5-12-6-4-9/h1-6H2,(H,10,11)

InChIKey

NPOZCQILIXHVKG-UHFFFAOYSA-N

Compound name

1-morpholin-4-ylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 171.08954 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]+	172.09682	140.9
[M+Na]+	194.07876	152.3
[M+NH4]+	189.12336	150.3
[M+K]+	210.05270	147.8
[M-H]-	170.08226	150.3
[M+Na-2H]-	192.06421	149.0
[M]+	171.08899	146.2
[M]-	171.09009	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe