CID 39871598

441353-52-2

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1C2CCC1(CC2)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-8-4-6-12(13,7-5-8)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
BJFKJHVXBIQTLW-UHFFFAOYSA-N
Compound name
7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

241.13141 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 155.0
[M+Na]+ 264.12063 160.1
[M+NH4]+ 259.16523 162.2
[M+K]+ 280.09457 159.9
[M-H]- 240.12413 151.1
[M+Na-2H]- 262.10608 154.6
[M]+ 241.13086 154.2
[M]- 241.13196 154.2
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