CID 71306008

1251004-07-5

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC(=O)NC[C@H]2C1
InChI
InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-6-8-4-10(15)13-5-9(8)7-14/h8-9H,4-7H2,1-3H3,(H,13,15)/t8-,9+/m1/s1
InChIKey
ZRLSHURDLKOJJN-BDAKNGLRSA-N
Compound name
tert-butyl (3aS,7aS)-6-oxo-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 158.3
[M+Na]+ 263.136618 163.8
[M-H]- 239.140124 157.9
[M+NH4]+ 258.181223 175.5
[M+K]+ 279.110558 161.7
[M+H-H2O]+ 223.144660 152.2
[M+HCOO]- 285.145601 170.9
[M+CH3COO]- 299.161251 188.1
[M+Na-2H]- 261.122066 159.5
[M]+ 240.14685142 154.6
[M]- 240.14794858 154.6
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.