CID 14504096

Menthyl pca

Structural Information

Molecular Formula
C15H25NO3
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2CCC(=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-ZGVCCVRISA-N
Compound name
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

545
Patents

267.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 166.0
[M+Na]+ 290.17266 169.2
[M-H]- 266.17616 168.8
[M+NH4]+ 285.21726 182.0
[M+K]+ 306.14660 166.8
[M+H-H2O]+ 250.18070 159.2
[M+HCOO]- 312.18164 179.7
[M+CH3COO]- 326.19729 196.0
[M+Na-2H]- 288.15811 161.3
[M]+ 267.18289 160.5
[M]- 267.18399 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

literature stripe

Patent stripe

patents stripe