CID 43534665

1153407-23-8

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC1=CC(=C(N1C2=CN(N=C2)C)C)C(=O)O
InChI
InChI=1S/C11H13N3O2/c1-7-4-10(11(15)16)8(2)14(7)9-5-12-13(3)6-9/h4-6H,1-3H3,(H,15,16)
InChIKey
DAQYLOPDNGEWKW-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-(1-methylpyrazol-4-yl)pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 146.2
[M+Na]+ 242.08999 158.0
[M-H]- 218.09349 149.8
[M+NH4]+ 237.13459 164.3
[M+K]+ 258.06393 155.0
[M+H-H2O]+ 202.09803 139.0
[M+HCOO]- 264.09897 168.8
[M+CH3COO]- 278.11462 187.4
[M+Na-2H]- 240.07544 147.2
[M]+ 219.10022 150.1
[M]- 219.10132 150.1
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

No patent data available for this compound.