CID 132308716

2126160-47-0

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CC1C2=CC=C(N2CCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C14H20N2O4/c1-9-10-5-6-11(12(17)18)16(10)8-7-15(9)13(19)20-14(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,17,18)
InChIKey
KRXCFRMXKJBUKZ-UHFFFAOYSA-N
Compound name
1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 165.8
[M+Na]+ 303.13152 172.9
[M-H]- 279.13502 166.4
[M+NH4]+ 298.17612 181.7
[M+K]+ 319.10546 171.2
[M+H-H2O]+ 263.13956 159.8
[M+HCOO]- 325.14050 179.9
[M+CH3COO]- 339.15615 197.6
[M+Na-2H]- 301.11697 166.5
[M]+ 280.14175 167.0
[M]- 280.14285 167.0
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.