CID 21118466

68127-22-0

Structural Information

Molecular Formula
C15H25NO3
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2CCC(=O)N2)C(C)C
InChI
InChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)19-15(18)12-6-7-14(17)16-12/h9-13H,4-8H2,1-3H3,(H,16,17)/t10-,11+,12-,13-/m1/s1
InChIKey
SLHPMAOXNSLXEH-YVECIDJPSA-N
Compound name
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1235
Patents

267.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.190716 166.0
[M+Na]+ 290.172658 169.2
[M-H]- 266.176164 168.8
[M+NH4]+ 285.217263 182.0
[M+K]+ 306.146598 166.8
[M+H-H2O]+ 250.180700 159.2
[M+HCOO]- 312.181641 179.7
[M+CH3COO]- 326.197291 196.0
[M+Na-2H]- 288.158106 161.3
[M]+ 267.18289142 160.5
[M]- 267.18398858 160.5
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

No patent data available for this compound.