CID 57073985

1158758-67-8

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC1(CCN(C1)C(=O)OC(C)(C)C)CN

InChI

InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-6-5-11(4,7-12)8-13/h5-8,12H2,1-4H3

InChIKey

QYBNDQGUYWSBCD-UHFFFAOYSA-N

Compound name

tert-butyl 3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 214.16812 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]+	215.17540	151.4
[M+Na]+	237.15734	157.4
[M-H]-	213.16084	153.0
[M+NH4]+	232.20194	172.4
[M+K]+	253.13128	156.8
[M+H-H2O]+	197.16538	146.5
[M+HCOO]-	259.16632	170.4
[M+CH3COO]-	273.18197	188.0
[M+Na-2H]-	235.14279	154.1
[M]+	214.16757	150.2
[M]-	214.16867	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe