CID 138695523

2357109-30-7

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

CC(C)(C)OC(=O)NCCCCCOCC#C

InChI

InChI=1S/C13H23NO3/c1-5-10-16-11-8-6-7-9-14-12(15)17-13(2,3)4/h1H,6-11H2,2-4H3,(H,14,15)

InChIKey

BGOKDCLRVURICD-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-prop-2-ynoxypentyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 241.1678 Da
Monoisotopic Mass: 2.0
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]+	242.175076	158.4
[M+Na]+	264.157018	164.9
[M-H]-	240.160524	157.4
[M+NH4]+	259.201623	174.0
[M+K]+	280.130958	163.8
[M+H-H2O]+	224.165060	146.9
[M+HCOO]-	286.166001	174.1
[M+CH3COO]-	300.181651	202.2
[M+Na-2H]-	262.142466	161.0
[M]+	241.16725142	157.4
[M]-	241.16834858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe