CID 26722643

915919-88-9

Structural Information

Molecular Formula
C7H9NO2
SMILES
CN1C=CC(=C1)CC(=O)O
InChI
InChI=1S/C7H9NO2/c1-8-3-2-6(5-8)4-7(9)10/h2-3,5H,4H2,1H3,(H,9,10)
InChIKey
RDYCFHGCGWNFNU-UHFFFAOYSA-N
Compound name
2-(1-methylpyrrol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

139.06332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 126.9
[M+Na]+ 162.05254 135.6
[M-H]- 138.05604 128.3
[M+NH4]+ 157.09714 148.5
[M+K]+ 178.02648 134.3
[M+H-H2O]+ 122.06058 121.4
[M+HCOO]- 184.06152 149.7
[M+CH3COO]- 198.07717 170.4
[M+Na-2H]- 160.03799 131.4
[M]+ 139.06277 127.3
[M]- 139.06387 127.3
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