CID 142783710

En300-39847946

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N\1CC/C1=C/C(=O)OC
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-6-5-8(12)7-9(13)15-4/h7H,5-6H2,1-4H3/b8-7-
InChIKey
UFQBFESQNRGBTH-FPLPWBNLSA-N
Compound name
tert-butyl (2Z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11575 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.123026 151.9
[M+Na]+ 250.104968 156.8
[M-H]- 226.108474 153.9
[M+NH4]+ 245.149573 162.5
[M+K]+ 266.078908 160.0
[M+H-H2O]+ 210.113010 141.0
[M+HCOO]- 272.113951 169.0
[M+CH3COO]- 286.129601 191.2
[M+Na-2H]- 248.090416 153.7
[M]+ 227.11520142 163.0
[M]- 227.11629858 163.0
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.