CID 98186300

2095396-42-0

Structural Information

Molecular Formula
C12H22N2O2
SMILES
C[C@@H]1C[C@H]2CN(C[C@H]2N1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O2/c1-8-5-9-6-14(7-10(9)13-8)11(15)16-12(2,3)4/h8-10,13H,5-7H2,1-4H3/t8-,9+,10-/m1/s1
InChIKey
XWFWZDUHQMTADY-KXUCPTDWSA-N
Compound name
tert-butyl (2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 158.2
[M+Na]+ 249.157338 164.3
[M-H]- 225.160844 158.4
[M+NH4]+ 244.201943 178.0
[M+K]+ 265.131278 162.6
[M+H-H2O]+ 209.165380 152.7
[M+HCOO]- 271.166321 172.7
[M+CH3COO]- 285.181971 186.7
[M+Na-2H]- 247.142786 157.7
[M]+ 226.16757142 155.9
[M]- 226.16866858 155.9
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.