CID 142783710

Tert-butyl (2z)-2-(2-methoxy-2-oxoethylidene)azetidine-1-carboxylate

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]+ 228.12303 151.9
[M+Na]+ 250.10497 156.8
[M-H]- 226.10847 153.9
[M+NH4]+ 245.14957 162.5
[M+K]+ 266.07891 160.0
[M+H-H2O]+ 210.11301 141.0
[M+HCOO]- 272.11395 169.0
[M+CH3COO]- 286.12960 191.2
[M+Na-2H]- 248.09042 153.7
[M]+ 227.11520 163.0
[M]- 227.11630 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.