CID 131186674

1936552-25-8

Structural Information

Molecular Formula

C₁₁H₁₈ClNO₃

SMILES

CC(C)(C)OC(=O)N1CCCC1(CCl)C=O

InChI

InChI=1S/C11H18ClNO3/c1-10(2,3)16-9(15)13-6-4-5-11(13,7-12)8-14/h8H,4-7H2,1-3H3

InChIKey

YRDXQXFXYHBHKY-UHFFFAOYSA-N

Compound name

tert-butyl 2-(chloromethyl)-2-formylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.09752 Da
Monoisotopic Mass: 1.6
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]+	248.10480	154.6
[M+Na]+	270.08674	162.5
[M-H]-	246.09024	156.7
[M+NH4]+	265.13134	175.5
[M+K]+	286.06068	160.1
[M+H-H2O]+	230.09478	150.7
[M+HCOO]-	292.09572	169.1
[M+CH3COO]-	306.11137	188.7
[M+Na-2H]-	268.07219	157.6
[M]+	247.09697	157.7
[M]-	247.09807	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe