CID 3067316

81257-90-1

Structural Information

Molecular Formula
C12H11NO3
SMILES
C1CC2=C(C=CC3=C2NC(=C3)C(=O)O)OC1
InChI
InChI=1S/C12H11NO3/c14-12(15)9-6-7-3-4-10-8(11(7)13-9)2-1-5-16-10/h3-4,6,13H,1-2,5H2,(H,14,15)
InChIKey
DJJRKYNKJQAPHU-UHFFFAOYSA-N
Compound name
1,7,8,9-tetrahydropyrano[2,3-g]indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

217.0739 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 143.4
[M+Na]+ 240.06312 152.2
[M-H]- 216.06662 145.8
[M+NH4]+ 235.10772 161.8
[M+K]+ 256.03706 148.9
[M+H-H2O]+ 200.07116 137.6
[M+HCOO]- 262.07210 160.5
[M+CH3COO]- 276.08775 155.8
[M+Na-2H]- 238.04857 149.9
[M]+ 217.07335 142.6
[M]- 217.07445 142.6
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

patents stripe