CID 45792434

1208929-16-1

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)CNC2
InChI
InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-6-8-4-12-5-9(8)7-13/h12H,4-7H2,1-3H3
InChIKey
OXUPNVQFTWUSGY-UHFFFAOYSA-N
Compound name
tert-butyl 2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

210.13683 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14411 152.2
[M+Na]+ 233.12605 158.8
[M-H]- 209.12955 152.5
[M+NH4]+ 228.17065 172.4
[M+K]+ 249.09999 157.1
[M+H-H2O]+ 193.13409 146.4
[M+HCOO]- 255.13503 168.5
[M+CH3COO]- 269.15068 182.1
[M+Na-2H]- 231.11150 153.7
[M]+ 210.13628 150.6
[M]- 210.13738 150.6
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

patents stripe