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 156.7
[M+Na]+ 273.12096 162.6
[M-H]- 249.12446 160.8
[M+NH4]+ 268.16556 166.8
[M+K]+ 289.09490 164.2
[M+H-H2O]+ 233.12900 144.6
[M+HCOO]- 295.12994 174.6
[M+CH3COO]- 309.14559 195.7
[M+Na-2H]- 271.10641 158.2
[M]+ 250.13119 167.6
[M]- 250.13229 167.6
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

No patent data available for this compound.