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]+ 244.16558 163.9
[M+Na]+ 266.14752 164.9
[M-H]- 242.15102 163.6
[M+NH4]+ 261.19212 171.8
[M+K]+ 282.12146 167.5
[M+H-H2O]+ 226.15556 150.8
[M+HCOO]- 288.15650 180.7
[M+CH3COO]- 302.17215 196.9
[M+Na-2H]- 264.13297 165.6
[M]+ 243.15775 170.1
[M]- 243.15885 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.