CID 155820117

2567498-39-7

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C13CCC3)CN
InChI
InChI=1S/C16H25N3O2/c1-15(2,3)21-14(20)19-10-9-18-12(11-17)5-6-13(18)16(19)7-4-8-16/h5-6H,4,7-11,17H2,1-3H3
InChIKey
CIBDVCZGGXONMV-UHFFFAOYSA-N
Compound name
tert-butyl 6-(aminomethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.19467 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 173.4
[M+Na]+ 314.18389 177.9
[M-H]- 290.18739 176.2
[M+NH4]+ 309.22849 184.6
[M+K]+ 330.15783 178.2
[M+H-H2O]+ 274.19193 161.5
[M+HCOO]- 336.19287 187.2
[M+CH3COO]- 350.20852 205.7
[M+Na-2H]- 312.16934 175.1
[M]+ 291.19412 180.0
[M]- 291.19522 180.0
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.