CID 23004756

1-propyl-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C8H11NO
SMILES
CCCN1C=CC=C1C=O
InChI
InChI=1S/C8H11NO/c1-2-5-9-6-3-4-8(9)7-10/h3-4,6-7H,2,5H2,1H3
InChIKey
ZJVXXKFZMHRLLH-UHFFFAOYSA-N
Compound name
1-propylpyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

137.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.2
[M+Na]+ 160.07328 136.2
[M-H]- 136.07678 129.7
[M+NH4]+ 155.11788 149.7
[M+K]+ 176.04722 134.7
[M+H-H2O]+ 120.08132 121.3
[M+HCOO]- 182.08226 152.0
[M+CH3COO]- 196.09791 173.3
[M+Na-2H]- 158.05873 133.0
[M]+ 137.08351 129.1
[M]- 137.08461 129.1
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

patents stripe