CID 15441782

118896-48-3

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CN(C=N1)CC2=CC=C(N2)C=O
InChI
InChI=1S/C9H9N3O/c13-6-9-2-1-8(11-9)5-12-4-3-10-7-12/h1-4,6-7,11H,5H2
InChIKey
JXYMQLUDNFTXSH-UHFFFAOYSA-N
Compound name
5-(imidazol-1-ylmethyl)-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 136.1
[M+Na]+ 198.06377 148.5
[M+NH4]+ 193.10837 143.2
[M+K]+ 214.03771 146.2
[M-H]- 174.06727 136.9
[M+Na-2H]- 196.04922 143.5
[M]+ 175.07400 137.8
[M]- 175.07510 137.8
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.