CID 165728129

En300-37447462

Structural Information

Molecular Formula
C11H21N3O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=O)NCCN
InChI
InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-8(7-14)9(15)13-5-4-12/h8H,4-7,12H2,1-3H3,(H,13,15)
InChIKey
IILKTWUMKUAOQX-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-aminoethylcarbamoyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1583 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16558 163.9
[M+Na]+ 266.14752 166.2
[M-H]- 242.15102 164.8
[M+NH4]+ 261.19212 172.5
[M+K]+ 282.12146 169.3
[M+H-H2O]+ 226.15556 150.9
[M+HCOO]- 288.15650 181.5
[M+CH3COO]- 302.17215 199.9
[M+Na-2H]- 264.13297 164.3
[M]+ 243.15775 171.3
[M]- 243.15885 171.3
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.