CID 79422869

1502788-08-0

Structural Information

Molecular Formula
C16H27NO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C2CCCCC2)C(=O)O
InChI
InChI=1S/C16H27NO4/c1-15(2,3)21-14(20)17-10-9-16(11-17,13(18)19)12-7-5-4-6-8-12/h12H,4-11H2,1-3H3,(H,18,19)
InChIKey
KXEKDYCGNGNDQP-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.194 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.20128 171.6
[M+Na]+ 320.18322 177.2
[M+NH4]+ 315.22782 178.2
[M+K]+ 336.15716 174.4
[M-H]- 296.18672 170.7
[M+Na-2H]- 318.16867 174.1
[M]+ 297.19345 171.7
[M]- 297.19455 171.7
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.