CID 78024213

1779637-50-1

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1C(CCC2C1C2)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-8(10(14)15)5-4-7-6-9(7)13/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKey
OUIBHCFUGWXKHT-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[4.1.0]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 166.3
[M-H]- 240.124134 160.6
[M+NH4]+ 259.165233 170.6
[M+K]+ 280.094568 163.4
[M+H-H2O]+ 224.128670 152.8
[M+HCOO]- 286.129611 172.4
[M+CH3COO]- 300.145261 193.4
[M+Na-2H]- 262.106076 160.7
[M]+ 241.13086142 161.0
[M]- 241.13195858 161.0
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