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
4
Annotation Hits

0
References

511
Patents

241.13141 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 158.3
[M+Na]+ 264.120628 164.5
[M-H]- 240.124134 158.5
[M+NH4]+ 259.165233 179.2
[M+K]+ 280.094568 163.6
[M+H-H2O]+ 224.128670 154.5
[M+HCOO]- 286.129611 173.3
[M+CH3COO]- 300.145261 189.4
[M+Na-2H]- 262.106076 158.4
[M]+ 241.13086142 159.0
[M]- 241.13195858 159.0
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