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

68
Patents

255.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 162.5
[M+Na]+ 278.136278 165.4
[M-H]- 254.139784 165.3
[M+NH4]+ 273.180883 172.7
[M+K]+ 294.110218 168.3
[M+H-H2O]+ 238.144320 151.1
[M+HCOO]- 300.145261 181.0
[M+CH3COO]- 314.160911 199.3
[M+Na-2H]- 276.121726 163.2
[M]+ 255.14651142 172.8
[M]- 255.14760858 172.8
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