CID 17982044

132122-28-2

Structural Information

Molecular Formula
C7H7NO3
SMILES
CN1C=C(C=C1C(=O)O)C=O
InChI
InChI=1S/C7H7NO3/c1-8-3-5(4-9)2-6(8)7(10)11/h2-4H,1H3,(H,10,11)
InChIKey
UNENKAJBDVFWSE-UHFFFAOYSA-N
Compound name
4-formyl-1-methylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

153.04259 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 127.7
[M+Na]+ 176.03181 137.5
[M-H]- 152.03531 129.5
[M+NH4]+ 171.07641 148.8
[M+K]+ 192.00575 136.1
[M+H-H2O]+ 136.03985 122.4
[M+HCOO]- 198.04079 150.9
[M+CH3COO]- 212.05644 172.8
[M+Na-2H]- 174.01726 131.6
[M]+ 153.04204 129.2
[M]- 153.04314 129.2
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