CID 71264872

1309352-51-9

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC2C1)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-5-4-12(9(14)15)6-8(12)7-13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
RMTDJEYZSNNPNM-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

241.13141 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 159.8
[M+Na]+ 264.120628 167.6
[M-H]- 240.124134 162.0
[M+NH4]+ 259.165233 173.6
[M+K]+ 280.094568 165.8
[M+H-H2O]+ 224.128670 155.2
[M+HCOO]- 286.129611 173.5
[M+CH3COO]- 300.145261 191.8
[M+Na-2H]- 262.106076 163.9
[M]+ 241.13086142 162.5
[M]- 241.13195858 162.5
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