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]+ 201.12337 148.7
[M+Na]+ 223.10531 153.0
[M-H]- 199.10881 150.2
[M+NH4]+ 218.14991 159.5
[M+K]+ 239.07925 156.4
[M+H-H2O]+ 183.11335 137.1
[M+HCOO]- 245.11429 166.2
[M+CH3COO]- 259.12994 189.6
[M+Na-2H]- 221.09076 150.2
[M]+ 200.11554 156.5
[M]- 200.11664 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