CID 154848959

2460750-32-5

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC12CCC(C1)(CN2C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-11(2,3)18-10(17)14-8-13(9(15)16)6-5-12(14,4)7-13/h5-8H2,1-4H3,(H,15,16)
InChIKey
SECNFWIPKWFKDF-UHFFFAOYSA-N
Compound name
1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 161.2
[M+Na]+ 278.13628 168.2
[M-H]- 254.13978 161.5
[M+NH4]+ 273.18088 185.4
[M+K]+ 294.11022 167.2
[M+H-H2O]+ 238.14432 158.9
[M+HCOO]- 300.14526 176.0
[M+CH3COO]- 314.16091 190.4
[M+Na-2H]- 276.12173 164.4
[M]+ 255.14651 162.8
[M]- 255.14761 162.8
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.