CID 15256325

158602-35-8

Structural Information

Molecular Formula
C12H21NO4
SMILES
CCOC(=O)CC1CN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChIKey
HTYZZXUWPRCEIN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

243.14706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 157.8
[M+Na]+ 266.13628 162.0
[M-H]- 242.13978 159.5
[M+NH4]+ 261.18088 167.8
[M+K]+ 282.11022 165.5
[M+H-H2O]+ 226.14432 146.6
[M+HCOO]- 288.14526 174.4
[M+CH3COO]- 302.16091 195.6
[M+Na-2H]- 264.12173 159.1
[M]+ 243.14651 170.0
[M]- 243.14761 170.0
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

patents stripe