CID 25196074

1122460-01-8

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
3
Annotation Hits

0
References

575
Patents

255.18344 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.190716 162.7
[M+Na]+ 278.172658 165.9
[M-H]- 254.176164 165.2
[M+NH4]+ 273.217263 179.5
[M+K]+ 294.146598 165.3
[M+H-H2O]+ 238.180700 156.5
[M+HCOO]- 300.181641 180.3
[M+CH3COO]- 314.197291 199.8
[M+Na-2H]- 276.158106 160.6
[M]+ 255.18289142 161.0
[M]- 255.18398858 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