CID 11095619

186759-50-2

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CC=CC1CO

InChI

InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h4-5,8,12H,6-7H2,1-3H3

InChIKey

RJLZUQYWPYTGAB-UHFFFAOYSA-N

Compound name

tert-butyl 2-(hydroxymethyl)-2,5-dihydropyrrole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 199.12085 Da
Monoisotopic Mass: 0.7
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]+	200.12813	146.1
[M+Na]+	222.11007	153.0
[M-H]-	198.11357	147.1
[M+NH4]+	217.15467	165.6
[M+K]+	238.08401	152.3
[M+H-H2O]+	182.11811	140.8
[M+HCOO]-	244.11905	165.2
[M+CH3COO]-	258.13470	180.2
[M+Na-2H]-	220.09552	149.0
[M]+	199.12030	146.9
[M]-	199.12140	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe