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

11
Patents

137.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 127.2
[M+Na]+ 160.073278 136.2
[M-H]- 136.076784 129.7
[M+NH4]+ 155.117883 149.7
[M+K]+ 176.047218 134.7
[M+H-H2O]+ 120.081320 121.3
[M+HCOO]- 182.082261 152.0
[M+CH3COO]- 196.097911 173.3
[M+Na-2H]- 158.058726 133.0
[M]+ 137.08351142 129.1
[M]- 137.08460858 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