CID 10465863

952708-48-4

Structural Information

Molecular Formula

C₁₀H₁₇NO₄

SMILES

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

InChI

InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-6-4-7(6)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6-,7+/m0/s1

InChIKey

ZVABYODYESELSO-NKWVEPMBSA-N

Compound name

cis-(1R,2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 215.11575 Da
Monoisotopic Mass: 0.8
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	146.5
[M+Na]+	238.104968	154.2
[M-H]-	214.108474	149.9
[M+NH4]+	233.149573	159.8
[M+K]+	254.078908	152.1
[M+H-H2O]+	198.113010	141.3
[M+HCOO]-	260.113951	166.7
[M+CH3COO]-	274.129601	190.4
[M+Na-2H]-	236.090416	149.8
[M]+	215.11520142	150.8
[M]-	215.11629858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe