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]+ 256.154336 161.2
[M+Na]+ 278.136278 168.2
[M-H]- 254.139784 161.5
[M+NH4]+ 273.180883 185.4
[M+K]+ 294.110218 167.2
[M+H-H2O]+ 238.144320 158.9
[M+HCOO]- 300.145261 176.0
[M+CH3COO]- 314.160911 190.4
[M+Na-2H]- 276.121726 164.4
[M]+ 255.14651142 162.8
[M]- 255.14760858 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.