CID 2756764

193751-54-1

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC(C)(C)OC(=O)NC1CC=CC1

InChI

InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-8-6-4-5-7-8/h4-5,8H,6-7H2,1-3H3,(H,11,12)

InChIKey

QPKZZWRUFCUFEI-UHFFFAOYSA-N

Compound name

tert-butyl N-cyclopent-3-en-1-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 346
Patents: 183.12593 Da
Monoisotopic Mass: 2.1
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]+	184.133206	143.0
[M+Na]+	206.115148	148.6
[M-H]-	182.118654	146.3
[M+NH4]+	201.159753	164.4
[M+K]+	222.089088	148.1
[M+H-H2O]+	166.123190	137.7
[M+HCOO]-	228.124131	165.6
[M+CH3COO]-	242.139781	181.9
[M+Na-2H]-	204.100596	147.2
[M]+	183.12538142	142.5
[M]-	183.12647858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe