CID 140318955

79252-62-3

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

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

InChI

InChI=1S/C10H16O4/c1-10(2,3)14-8(11)5-6-4-7(6)9(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)/t6-,7+/m0/s1

InChIKey

ZTFMUMMVYGNVOG-NKWVEPMBSA-N

Compound name

cis-(1R,2S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 200.10486 Da
Monoisotopic Mass: 1.0
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]+	201.112136	142.9
[M+Na]+	223.094078	151.5
[M-H]-	199.097584	146.4
[M+NH4]+	218.138683	157.1
[M+K]+	239.068018	149.5
[M+H-H2O]+	183.102120	138.0
[M+HCOO]-	245.103061	162.1
[M+CH3COO]-	259.118711	186.3
[M+Na-2H]-	221.079526	146.0
[M]+	200.10431142	148.0
[M]-	200.10540858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe