CID 71299235

Tert-butyl 3-[methoxy(methyl)carbamoyl]cyclohexane-1-carboxylate

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)C1CCCC(C1)C(=O)N(C)OC
InChI
InChI=1S/C14H25NO4/c1-14(2,3)19-13(17)11-8-6-7-10(9-11)12(16)15(4)18-5/h10-11H,6-9H2,1-5H3
InChIKey
MBKIVTOKCDBBBW-UHFFFAOYSA-N
Compound name
tert-butyl 3-[methoxy(methyl)carbamoyl]cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.17834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.185616 163.5
[M+Na]+ 294.167558 166.5
[M-H]- 270.171064 167.4
[M+NH4]+ 289.212163 180.2
[M+K]+ 310.141498 168.0
[M+H-H2O]+ 254.175600 157.4
[M+HCOO]- 316.176541 181.4
[M+CH3COO]- 330.192191 203.6
[M+Na-2H]- 292.153006 163.9
[M]+ 271.17779142 164.4
[M]- 271.17888858 164.4
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.