CID 64748111

2-([(tert-butoxy)carbonyl]amino)-2-(4-methylcyclohexyl)acetic acid

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC1CCC(CC1)C(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO4/c1-9-5-7-10(8-6-9)11(12(16)17)15-13(18)19-14(2,3)4/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17)
InChIKey
MUOXYNIOJBUOCL-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

271.17834 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.185616 164.8
[M+Na]+ 294.167558 166.9
[M-H]- 270.171064 165.7
[M+NH4]+ 289.212163 179.9
[M+K]+ 310.141498 166.6
[M+H-H2O]+ 254.175600 159.1
[M+HCOO]- 316.176541 179.6
[M+CH3COO]- 330.192191 198.6
[M+Na-2H]- 292.153006 164.1
[M]+ 271.17779142 161.8
[M]- 271.17888858 161.8
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