CID 132327861

2126160-00-5

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CCN(C1)CC#C

InChI

InChI=1S/C12H20N2O2/c1-5-7-14-8-6-10(9-14)13-11(15)16-12(2,3)4/h1,10H,6-9H2,2-4H3,(H,13,15)

InChIKey

GCSGXKDBGOAZAG-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-prop-2-ynylpyrrolidin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.15248 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]+	225.159756	155.1
[M+Na]+	247.141698	162.2
[M-H]-	223.145204	155.3
[M+NH4]+	242.186303	171.4
[M+K]+	263.115638	159.8
[M+H-H2O]+	207.149740	142.5
[M+HCOO]-	269.150681	168.9
[M+CH3COO]-	283.166331	197.6
[M+Na-2H]-	245.127146	156.0
[M]+	224.15193142	148.7
[M]-	224.15302858	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.