CID 4328171

2,5-dimethyl-1h-pyrrole-3,4-dicarbaldehyde

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=C(C(=C(N1)C)C=O)C=O
InChI
InChI=1S/C8H9NO2/c1-5-7(3-10)8(4-11)6(2)9-5/h3-4,9H,1-2H3
InChIKey
VJDZUXWJEWKBKE-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1H-pyrrole-3,4-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

151.06332 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 128.4
[M+Na]+ 174.052538 139.1
[M-H]- 150.056044 130.3
[M+NH4]+ 169.097143 150.2
[M+K]+ 190.026478 136.5
[M+H-H2O]+ 134.060580 123.4
[M+HCOO]- 196.061521 152.1
[M+CH3COO]- 210.077171 174.1
[M+Na-2H]- 172.037986 132.4
[M]+ 151.06277142 129.9
[M]- 151.06386858 129.9
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