CID 136575793

2193061-08-2

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)(C)OC(=O)N1CCN2C=CC(=C2C1)C(=O)O
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-7-6-14-5-4-9(11(16)17)10(14)8-15/h4-5H,6-8H2,1-3H3,(H,16,17)
InChIKey
DRMROUZFZASFKS-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

266.12665 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 161.7
[M+Na]+ 289.115868 168.3
[M-H]- 265.119374 162.1
[M+NH4]+ 284.160473 177.8
[M+K]+ 305.089808 166.7
[M+H-H2O]+ 249.123910 155.4
[M+HCOO]- 311.124851 176.1
[M+CH3COO]- 325.140501 193.3
[M+Na-2H]- 287.101316 163.4
[M]+ 266.12610142 162.0
[M]- 266.12719858 162.0
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