CID 131531623

2090417-89-1

Structural Information

Molecular Formula
C13H16N2O4
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)N=C(C=C2)C(=O)O
InChI
InChI=1S/C13H16N2O4/c1-13(2,3)19-12(18)15-6-8-4-5-9(11(16)17)14-10(8)7-15/h4-5H,6-7H2,1-3H3,(H,16,17)
InChIKey
OYGRJHUIQHGYPN-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydropyrrolo[3,4-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.111 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11828 160.3
[M+Na]+ 287.10022 167.9
[M-H]- 263.10372 161.1
[M+NH4]+ 282.14482 176.6
[M+K]+ 303.07416 166.2
[M+H-H2O]+ 247.10826 154.0
[M+HCOO]- 309.10920 176.2
[M+CH3COO]- 323.12485 192.9
[M+Na-2H]- 285.08567 163.0
[M]+ 264.11045 162.1
[M]- 264.11155 162.1
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

No patent data available for this compound.