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]+ 150.091336 125.3
[M+Na]+ 172.073278 132.2
[M-H]- 148.076784 130.8
[M+NH4]+ 167.117883 140.6
[M+K]+ 188.047218 133.3
[M+H-H2O]+ 132.081320 114.4
[M+HCOO]- 194.082261 148.1
[M+CH3COO]- 208.097911 178.1
[M+Na-2H]- 170.058726 130.4
[M]+ 149.08351142 133.4
[M]- 149.08460858 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.