CID 68340365

Tert-butyl 3-amino-3-carbamoylazetidine-1-carboxylate

Structural Information

Molecular Formula
C9H17N3O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)N)N
InChI
InChI=1S/C9H17N3O3/c1-8(2,3)15-7(14)12-4-9(11,5-12)6(10)13/h4-5,11H2,1-3H3,(H2,10,13)
InChIKey
OAKMOLUZPTYUBR-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-carbamoylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

215.127 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13428 155.9
[M+Na]+ 238.11622 159.8
[M-H]- 214.11972 157.0
[M+NH4]+ 233.16082 167.3
[M+K]+ 254.09016 163.2
[M+H-H2O]+ 198.12426 145.0
[M+HCOO]- 260.12520 173.4
[M+CH3COO]- 274.14085 193.7
[M+Na-2H]- 236.10167 157.5
[M]+ 215.12645 162.1
[M]- 215.12755 162.1
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

patents stripe