CID 97112153

2138150-20-4

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C1)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-6-8-4-5-12(8,7-13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-,12-/m0/s1
InChIKey
HFZDQTVYEXMISZ-UFBFGSQYSA-N
Compound name
(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.0]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 157.7
[M+Na]+ 264.120628 162.1
[M-H]- 240.124134 159.1
[M+NH4]+ 259.165233 171.4
[M+K]+ 280.094568 164.3
[M+H-H2O]+ 224.128670 149.0
[M+HCOO]- 286.129611 171.7
[M+CH3COO]- 300.145261 191.2
[M+Na-2H]- 262.106076 159.7
[M]+ 241.13086142 166.5
[M]- 241.13195858 166.5
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