CID 25196074

Frescolat x-cool

Structural Information

Molecular Formula
C14H25NO3
SMILES
CCNC(=O)C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C
InChI
InChI=1S/C14H25NO3/c1-5-15-13(16)14(17)18-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,15,16)/t10-,11+,12-/m1/s1
InChIKey
VTSKTHILUKZQTB-GRYCIOLGSA-N
Compound name
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(ethylamino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

389
Patents

255.18344 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 162.7
[M+Na]+ 278.17266 165.9
[M-H]- 254.17616 165.2
[M+NH4]+ 273.21726 179.5
[M+K]+ 294.14660 165.3
[M+H-H2O]+ 238.18070 156.5
[M+HCOO]- 300.18164 180.3
[M+CH3COO]- 314.19729 199.8
[M+Na-2H]- 276.15811 160.6
[M]+ 255.18289 161.0
[M]- 255.18399 161.0
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