CID 15346872

Tert-butyl n-(azetidin-3-ylmethyl)carbamate

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NCC1CNC1

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-7-4-10-5-7/h7,10H,4-6H2,1-3H3,(H,11,12)

InChIKey

MOLUHRBHXXGWDP-UHFFFAOYSA-N

Compound name

tert-butyl N-(azetidin-3-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 549
Patents: 186.13683 Da
Monoisotopic Mass: 0.5
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]+	187.144106	146.9
[M+Na]+	209.126048	150.1
[M-H]-	185.129554	147.1
[M+NH4]+	204.170653	157.8
[M+K]+	225.099988	152.5
[M+H-H2O]+	169.134090	135.3
[M+HCOO]-	231.135031	164.2
[M+CH3COO]-	245.150681	184.6
[M+Na-2H]-	207.111496	150.8
[M]+	186.13628142	153.4
[M]-	186.13737858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe