CID 137951771

2173999-12-5

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)C=O)C(=O)OC
InChI
InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-12(9(15)17-4)5-8(6-12)7-14/h7-8H,5-6H2,1-4H3,(H,13,16)
InChIKey
YHSVHXUXXUPHPM-UHFFFAOYSA-N
Compound name
methyl 3-formyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1263 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 160.0
[M+Na]+ 280.11552 163.9
[M-H]- 256.11902 163.2
[M+NH4]+ 275.16012 172.0
[M+K]+ 296.08946 167.7
[M+H-H2O]+ 240.12356 150.3
[M+HCOO]- 302.12450 179.0
[M+CH3COO]- 316.14015 198.6
[M+Na-2H]- 278.10097 162.8
[M]+ 257.12575 171.9
[M]- 257.12685 171.9
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.