CID 43153210

3-[(2-methyl-2,3-dihydro-1h-indol-1-yl)methyl]furan-2-carboxylic acid

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC1CC2=CC=CC=C2N1CC3=C(OC=C3)C(=O)O
InChI
InChI=1S/C15H15NO3/c1-10-8-11-4-2-3-5-13(11)16(10)9-12-6-7-19-14(12)15(17)18/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKey
AZHASWNNAOOMSJ-UHFFFAOYSA-N
Compound name
3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 157.7
[M+Na]+ 280.09442 166.2
[M-H]- 256.09792 164.1
[M+NH4]+ 275.13902 176.0
[M+K]+ 296.06836 163.6
[M+H-H2O]+ 240.10246 151.7
[M+HCOO]- 302.10340 177.8
[M+CH3COO]- 316.11905 192.9
[M+Na-2H]- 278.07987 159.0
[M]+ 257.10465 159.6
[M]- 257.10575 159.6
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.