CID 155973021

2648942-13-4

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2C=CC(=C2)C=O
InChI
InChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-7-11(8-15)14-5-4-10(6-14)9-16/h4-6,9,11H,7-8H2,1-3H3
InChIKey
UHJSJWMYTUGPMS-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-formylpyrrol-1-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 158.6
[M+Na]+ 273.12096 163.7
[M+NH4]+ 268.16556 160.3
[M+K]+ 289.09490 163.5
[M-H]- 249.12446 155.3
[M+Na-2H]- 271.10641 159.6
[M]+ 250.13119 156.9
[M]- 250.13229 156.9
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.