CID 43596763

2-methylpropyl 2-methyl-octahydropyrrolo[2,3-c]pyrrole-1-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC1CC2CNCC2N1C(=O)OCC(C)C
InChI
InChI=1S/C12H22N2O2/c1-8(2)7-16-12(15)14-9(3)4-10-5-13-6-11(10)14/h8-11,13H,4-7H2,1-3H3
InChIKey
RYIGOQFWMTVKTB-UHFFFAOYSA-N
Compound name
2-methylpropyl 2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 157.9
[M+Na]+ 249.15734 163.3
[M-H]- 225.16084 157.8
[M+NH4]+ 244.20194 177.4
[M+K]+ 265.13128 161.5
[M+H-H2O]+ 209.16538 151.6
[M+HCOO]- 271.16632 172.9
[M+CH3COO]- 285.18197 187.9
[M+Na-2H]- 247.14279 155.2
[M]+ 226.16757 155.5
[M]- 226.16867 155.5
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.