CID 21525235

1463522-68-0

Structural Information

Molecular Formula

C₁₀H₁₇NO₄

SMILES

CC(C)(C)OC(=O)NC1(CC1)CC(=O)O

InChI

InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-10(4-5-10)6-7(12)13/h4-6H2,1-3H3,(H,11,14)(H,12,13)

InChIKey

OGHYBYYNJOTBHJ-UHFFFAOYSA-N

Compound name

2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 215.11575 Da
Monoisotopic Mass: 1.4
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	147.5
[M+Na]+	238.104968	155.0
[M-H]-	214.108474	150.9
[M+NH4]+	233.149573	162.4
[M+K]+	254.078908	153.9
[M+H-H2O]+	198.113010	143.6
[M+HCOO]-	260.113951	167.4
[M+CH3COO]-	274.129601	188.8
[M+Na-2H]-	236.090416	152.7
[M]+	215.11520142	151.9
[M]-	215.11629858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe