CID 151518

10476-41-2

Structural Information

Molecular Formula
C10H10N2O2
SMILES
COC1=C(NC(=C1)C2=CC=CN2)C=O
InChI
InChI=1S/C10H10N2O2/c1-14-10-5-8(12-9(10)6-13)7-3-2-4-11-7/h2-6,11-12H,1H3
InChIKey
MQCYELLGZFKAFD-UHFFFAOYSA-N
Compound name
3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

33
Patents

190.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 140.3
[M+Na]+ 213.06345 152.1
[M+NH4]+ 208.10805 147.2
[M+K]+ 229.03739 150.3
[M-H]- 189.06695 140.9
[M+Na-2H]- 211.04890 146.5
[M]+ 190.07368 141.9
[M]- 190.07478 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe