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

66
Patents

243.14706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 157.8
[M+Na]+ 266.136278 162.0
[M-H]- 242.139784 159.5
[M+NH4]+ 261.180883 167.8
[M+K]+ 282.110218 165.5
[M+H-H2O]+ 226.144320 146.6
[M+HCOO]- 288.145261 174.4
[M+CH3COO]- 302.160911 195.6
[M+Na-2H]- 264.121726 159.1
[M]+ 243.14651142 170.0
[M]- 243.14760858 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