CID 127263762

2007920-67-2

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC12CN(CC1CCN2)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-9-5-6-13-12(9,4)8-14/h9,13H,5-8H2,1-4H3
InChIKey
BTSYWUMATFSQOJ-UHFFFAOYSA-N
Compound name
tert-butyl 6a-methyl-1,2,3,3a,4,6-hexahydropyrrolo[3,4-b]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 157.4
[M+Na]+ 249.157338 163.6
[M-H]- 225.160844 157.5
[M+NH4]+ 244.201943 179.0
[M+K]+ 265.131278 161.9
[M+H-H2O]+ 209.165380 152.3
[M+HCOO]- 271.166321 171.9
[M+CH3COO]- 285.181971 185.1
[M+Na-2H]- 247.142786 158.9
[M]+ 226.16757142 155.0
[M]- 226.16866858 155.0
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.