CID 23138106

856417-72-6

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C1(CCCCC1)O
InChI
InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-9(10(15)16)13(18)7-5-4-6-8-13/h9,18H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
IZSVJQVMRJYFPC-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

273.15762 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16490 163.5
[M+Na]+ 296.14684 165.5
[M-H]- 272.15034 163.1
[M+NH4]+ 291.19144 179.5
[M+K]+ 312.12078 165.6
[M+H-H2O]+ 256.15488 159.1
[M+HCOO]- 318.15582 177.3
[M+CH3COO]- 332.17147 193.8
[M+Na-2H]- 294.13229 165.1
[M]+ 273.15707 159.8
[M]- 273.15817 159.8
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