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

143
Patents

210.13683 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 152.2
[M+Na]+ 233.126048 158.8
[M-H]- 209.129554 152.5
[M+NH4]+ 228.170653 172.4
[M+K]+ 249.099988 157.1
[M+H-H2O]+ 193.134090 146.4
[M+HCOO]- 255.135031 168.5
[M+CH3COO]- 269.150681 182.1
[M+Na-2H]- 231.111496 153.7
[M]+ 210.13628142 150.6
[M]- 210.13737858 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