CID 71756886

1374653-91-4

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC1CC(CN1)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C11H22N2O2/c1-8-5-9(6-12-8)7-13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)

InChIKey

WKMNQHVVKMVXIL-UHFFFAOYSA-N

Compound name

tert-butyl N-[(5-methylpyrrolidin-3-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 214.16812 Da
Monoisotopic Mass: 1.3
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	153.6
[M+Na]+	237.15734	158.2
[M-H]-	213.16084	153.9
[M+NH4]+	232.20194	171.9
[M+K]+	253.13128	156.8
[M+H-H2O]+	197.16538	147.6
[M+HCOO]-	259.16632	171.6
[M+CH3COO]-	273.18197	186.5
[M+Na-2H]-	235.14279	155.2
[M]+	214.16757	151.0
[M]-	214.16867	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe