CID 22840759

Schembl10352992

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC1(C2CCC1(C(C2)OC(=O)[C@@H]3CCC(=O)N3)C)C
InChI
InChI=1S/C15H23NO3/c1-14(2)9-6-7-15(14,3)11(8-9)19-13(18)10-4-5-12(17)16-10/h9-11H,4-8H2,1-3H3,(H,16,17)/t9?,10-,11?,15?/m0/s1
InChIKey
XODDLQGGEAGBHB-JYWPOGKJSA-N
Compound name
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

265.1678 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.175076 165.0
[M+Na]+ 288.157018 171.9
[M-H]- 264.160524 168.6
[M+NH4]+ 283.201623 190.3
[M+K]+ 304.130958 168.6
[M+H-H2O]+ 248.165060 161.5
[M+HCOO]- 310.166001 180.8
[M+CH3COO]- 324.181651 193.8
[M+Na-2H]- 286.142466 163.1
[M]+ 265.16725142 163.2
[M]- 265.16834858 163.2
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