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]+ 258.133576 160.0
[M+Na]+ 280.115518 163.9
[M-H]- 256.119024 163.2
[M+NH4]+ 275.160123 172.0
[M+K]+ 296.089458 167.7
[M+H-H2O]+ 240.123560 150.3
[M+HCOO]- 302.124501 179.0
[M+CH3COO]- 316.140151 198.6
[M+Na-2H]- 278.100966 162.8
[M]+ 257.12575142 171.9
[M]- 257.12684858 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.