CID 155977953

1-cyclobutyl-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C9H11NO
SMILES
C1CC(C1)N2C=CC(=C2)C=O
InChI
InChI=1S/C9H11NO/c11-7-8-4-5-10(6-8)9-2-1-3-9/h4-7,9H,1-3H2
InChIKey
FJVRNXFGZDVIBO-UHFFFAOYSA-N
Compound name
1-cyclobutylpyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 125.3
[M+Na]+ 172.07328 132.2
[M-H]- 148.07678 130.8
[M+NH4]+ 167.11788 140.6
[M+K]+ 188.04722 133.3
[M+H-H2O]+ 132.08132 114.4
[M+HCOO]- 194.08226 148.1
[M+CH3COO]- 208.09791 178.1
[M+Na-2H]- 170.05873 130.4
[M]+ 149.08351 133.4
[M]- 149.08461 133.4
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.