CID 4998475

123311-18-2

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

CC1(CC1(C(=O)O)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C11H19NO4/c1-9(2,3)16-8(15)12-11(7(13)14)6-10(11,4)5/h6H2,1-5H3,(H,12,15)(H,13,14)

InChIKey

OYYZOJAZPUWXIS-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 229.13141 Da
Monoisotopic Mass: 1.7
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]+	230.13869	154.0
[M+Na]+	252.12063	162.7
[M+NH4]+	247.16523	162.5
[M+K]+	268.09457	158.6
[M-H]-	228.12413	159.4
[M+Na-2H]-	250.10608	161.2
[M]+	229.13086	157.9
[M]-	229.13196	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe