CID 21307329

Tert-butyl 3-carbamoylazetidine-1-carboxylate

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=O)N
InChI
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-4-6(5-11)7(10)12/h6H,4-5H2,1-3H3,(H2,10,12)
InChIKey
AGMQPVHOELDCAZ-UHFFFAOYSA-N
Compound name
tert-butyl 3-carbamoylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

200.11609 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 148.7
[M+Na]+ 223.105308 153.0
[M-H]- 199.108814 150.2
[M+NH4]+ 218.149913 159.5
[M+K]+ 239.079248 156.4
[M+H-H2O]+ 183.113350 137.1
[M+HCOO]- 245.114291 166.2
[M+CH3COO]- 259.129941 189.6
[M+Na-2H]- 221.090756 150.2
[M]+ 200.11554142 156.5
[M]- 200.11663858 156.5
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