CID 84031947

1782248-68-3

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)(C)OC(=O)N1CCN2C=C(C=C2C1)C(=O)O
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-5-4-14-7-9(11(16)17)6-10(14)8-15/h6-7H,4-5,8H2,1-3H3,(H,16,17)
InChIKey
ZYPUHPLPQDPSDC-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 161.7
[M+Na]+ 289.11587 168.3
[M-H]- 265.11937 162.1
[M+NH4]+ 284.16047 177.8
[M+K]+ 305.08981 166.7
[M+H-H2O]+ 249.12391 155.4
[M+HCOO]- 311.12485 176.1
[M+CH3COO]- 325.14050 193.3
[M+Na-2H]- 287.10132 163.4
[M]+ 266.12610 162.0
[M]- 266.12720 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

No patent data available for this compound.