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]+ 227.175396 157.9
[M+Na]+ 249.157338 163.3
[M-H]- 225.160844 157.8
[M+NH4]+ 244.201943 177.4
[M+K]+ 265.131278 161.5
[M+H-H2O]+ 209.165380 151.6
[M+HCOO]- 271.166321 172.9
[M+CH3COO]- 285.181971 187.9
[M+Na-2H]- 247.142786 155.2
[M]+ 226.16757142 155.5
[M]- 226.16866858 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.