CID 137935500

2248347-40-0

Structural Information

Molecular Formula
C16H26N2O4
SMILES
CC(C)(C)OC(=O)N1CCN2CCCC2C13CC(C3)C(=O)O
InChI
InChI=1S/C16H26N2O4/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/h11-12H,4-10H2,1-3H3,(H,19,20)
InChIKey
OITFRDKMOFAQMO-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.18927 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19655 175.8
[M+Na]+ 333.17849 178.3
[M-H]- 309.18199 177.0
[M+NH4]+ 328.22309 185.6
[M+K]+ 349.15243 179.6
[M+H-H2O]+ 293.18653 165.1
[M+HCOO]- 355.18747 184.3
[M+CH3COO]- 369.20312 204.1
[M+Na-2H]- 331.16394 175.2
[M]+ 310.18872 181.0
[M]- 310.18982 181.0
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.