CID 17039383

3-tert-butoxycarbonylamino-3-cyclohexyl-propionic acid

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)C1CCCCC1
InChI
InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-11(9-12(16)17)10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
JRQQQMPMEZFLGD-UHFFFAOYSA-N
Compound name
3-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

271.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.185616 165.6
[M+Na]+ 294.167558 166.7
[M-H]- 270.171064 166.1
[M+NH4]+ 289.212163 180.4
[M+K]+ 310.141498 166.4
[M+H-H2O]+ 254.175600 159.6
[M+HCOO]- 316.176541 180.4
[M+CH3COO]- 330.192191 197.4
[M+Na-2H]- 292.153006 165.4
[M]+ 271.17779142 162.2
[M]- 271.17888858 162.2
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