CID 124703423

2307754-79-4

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)O

InChI

InChI=1S/C10H16O4/c1-10(2,3)14-9(13)7-5-4-6(7)8(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)/t6-,7-/m1/s1

InChIKey

JBBMXPFFCFHKDD-RNFRBKRXSA-N

Compound name

trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.10486 Da
Monoisotopic Mass: 1.1
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]+	201.112136	144.5
[M+Na]+	223.094078	148.9
[M-H]-	199.097584	146.6
[M+NH4]+	218.138683	156.5
[M+K]+	239.068018	152.0
[M+H-H2O]+	183.102120	134.7
[M+HCOO]-	245.103061	161.5
[M+CH3COO]-	259.118711	186.0
[M+Na-2H]-	221.079526	146.3
[M]+	200.10431142	153.8
[M]-	200.10540858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.