CID 86701055

1463522-73-7

Structural Information

Molecular Formula
C13H21NO4
SMILES
CCOC(=O)C=C1CC(C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO4/c1-5-17-11(15)8-9-6-10(7-9)14-12(16)18-13(2,3)4/h8,10H,5-7H2,1-4H3,(H,14,16)
InChIKey
QGRFCRJJRNGRSQ-UHFFFAOYSA-N
Compound name
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

255.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 166.4
[M+Na]+ 278.13628 168.5
[M+NH4]+ 273.18088 167.1
[M+K]+ 294.11022 167.2
[M-H]- 254.13978 161.9
[M+Na-2H]- 276.12173 164.4
[M]+ 255.14651 163.7
[M]- 255.14761 163.7
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