CID 165665695

Tert-butyl n-{2-[(azetidin-3-yl)formamido]ethyl}carbamate hydrochloride

Structural Information

Molecular Formula
C11H21N3O3
SMILES
CC(C)(C)OC(=O)NCCNC(=O)C1CNC1
InChI
InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-5-4-13-9(15)8-6-12-7-8/h8,12H,4-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKey
GEKDVSGKBZVFMT-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(azetidine-3-carbonylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1583 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.165576 163.9
[M+Na]+ 266.147518 164.9
[M-H]- 242.151024 163.6
[M+NH4]+ 261.192123 171.8
[M+K]+ 282.121458 167.5
[M+H-H2O]+ 226.155560 150.8
[M+HCOO]- 288.156501 180.7
[M+CH3COO]- 302.172151 196.9
[M+Na-2H]- 264.132966 165.6
[M]+ 243.15775142 170.1
[M]- 243.15884858 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.