CID 10966228

155905-79-6

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CCC=C1C(=O)OC
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h6H,5,7H2,1-4H3
InChIKey
WGLBHPHVXHFWDE-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 5-O-methyl 2,3-dihydropyrrole-1,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

227.11575 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 151.1
[M+Na]+ 250.10497 158.0
[M-H]- 226.10847 153.5
[M+NH4]+ 245.14957 170.0
[M+K]+ 266.07891 158.4
[M+H-H2O]+ 210.11301 145.5
[M+HCOO]- 272.11395 170.8
[M+CH3COO]- 286.12960 187.2
[M+Na-2H]- 248.09042 153.0
[M]+ 227.11520 154.3
[M]- 227.11630 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe