CID 69804458

291775-53-6

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-8-5-4-7(6-8)9(13)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8+,9-/m1/s1
InChIKey
IFAMSTPTNRJBRG-HRDYMLBCSA-N
Compound name
(1S,3R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

559
Patents

241.13141 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 154.6
[M+Na]+ 264.12063 160.1
[M+NH4]+ 259.16523 160.4
[M+K]+ 280.09457 161.8
[M-H]- 240.12413 150.9
[M+Na-2H]- 262.10608 152.4
[M]+ 241.13086 153.7
[M]- 241.13196 153.7
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

patents stripe