CID 138007647

2243509-90-0

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C13CCC3)C(=O)O
InChI
InChI=1S/C16H22N2O4/c1-15(2,3)22-14(21)18-10-9-17-11(13(19)20)5-6-12(17)16(18)7-4-8-16/h5-6H,4,7-10H2,1-3H3,(H,19,20)
InChIKey
MOQDQLVUOAEAHP-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16524 173.8
[M+Na]+ 329.14718 178.3
[M-H]- 305.15068 175.9
[M+NH4]+ 324.19178 183.9
[M+K]+ 345.12112 179.3
[M+H-H2O]+ 289.15522 162.9
[M+HCOO]- 351.15616 185.3
[M+CH3COO]- 365.17181 203.3
[M+Na-2H]- 327.13263 175.0
[M]+ 306.15741 181.9
[M]- 306.15851 181.9
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.