CID 21979325

1263315-81-6

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)NC(C)(C)C1CCNC1

InChI

InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-12(4,5)9-6-7-13-8-9/h9,13H,6-8H2,1-5H3,(H,14,15)

InChIKey

MNIHYAVDKLMINM-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-pyrrolidin-3-ylpropan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 228.18378 Da
Monoisotopic Mass: 1.5
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]+	229.19106	157.6
[M+Na]+	251.17300	161.2
[M-H]-	227.17650	157.7
[M+NH4]+	246.21760	175.2
[M+K]+	267.14694	160.2
[M+H-H2O]+	211.18104	152.0
[M+HCOO]-	273.18198	173.7
[M+CH3COO]-	287.19763	188.8
[M+Na-2H]-	249.15845	160.5
[M]+	228.18323	154.6
[M]-	228.18433	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe