CID 73977813

1251019-97-2

Structural Information

Molecular Formula

C₁₂H₁₉NO₅

SMILES

CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C1)C(=O)O

InChI

InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-4-8-5-17-7-12(8,6-13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-,12-/m1/s1

InChIKey

YHUJAKLVDJODPS-PRHODGIISA-N

Compound name

(3aR,6aR)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.1263 Da
Monoisotopic Mass: 0.1
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]+	258.133576	158.4
[M+Na]+	280.115518	164.3
[M-H]-	256.119024	160.5
[M+NH4]+	275.160123	178.4
[M+K]+	296.089458	165.0
[M+H-H2O]+	240.123560	155.1
[M+HCOO]-	302.124501	173.0
[M+CH3COO]-	316.140151	188.8
[M+Na-2H]-	278.100966	160.8
[M]+	257.12575142	159.3
[M]-	257.12684858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe