CID 124704753

1251013-32-7

Structural Information

Molecular Formula
C12H18N2O5
SMILES
CC(C)(C)OC(=O)N1C[C@H]2[C@@](C1)(CC(=O)N2)C(=O)O
InChI
InChI=1S/C12H18N2O5/c1-11(2,3)19-10(18)14-5-7-12(6-14,9(16)17)4-8(15)13-7/h7H,4-6H2,1-3H3,(H,13,15)(H,16,17)/t7-,12-/m0/s1
InChIKey
JNPYDFRHTSXAMF-MADCSZMMSA-N
Compound name
(3aS,6aR)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,4,6,6a-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12158 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12886 162.2
[M+Na]+ 293.11080 168.6
[M-H]- 269.11430 161.4
[M+NH4]+ 288.15540 181.0
[M+K]+ 309.08474 167.2
[M+H-H2O]+ 253.11884 158.3
[M+HCOO]- 315.11978 175.1
[M+CH3COO]- 329.13543 189.5
[M+Na-2H]- 291.09625 162.6
[M]+ 270.12103 160.8
[M]- 270.12213 160.8
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.