CID 138039680

2241142-50-5

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCN2C=CC=C2C13CC(C3)C(=O)O
InChI
InChI=1S/C16H22N2O4/c1-15(2,3)22-14(21)18-8-7-17-6-4-5-12(17)16(18)9-11(10-16)13(19)20/h4-6,11H,7-10H2,1-3H3,(H,19,20)
InChIKey
TXUTYOIFMVXPGL-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16524 173.6
[M+Na]+ 329.14718 176.9
[M+NH4]+ 324.19178 176.3
[M+K]+ 345.12112 175.8
[M-H]- 305.15068 169.2
[M+Na-2H]- 327.13263 173.0
[M]+ 306.15741 171.4
[M]- 306.15851 171.4
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.