CID 165728129

Tert-butyl 3-[(2-aminoethyl)carbamoyl]azetidine-1-carboxylate

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]+ 244.165576 163.9
[M+Na]+ 266.147518 166.2
[M-H]- 242.151024 164.8
[M+NH4]+ 261.192123 172.5
[M+K]+ 282.121458 169.3
[M+H-H2O]+ 226.155560 150.9
[M+HCOO]- 288.156501 181.5
[M+CH3COO]- 302.172151 199.9
[M+Na-2H]- 264.132966 164.3
[M]+ 243.15775142 171.3
[M]- 243.15884858 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.