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 144.5
[M+Na]+ 240.06312 157.0
[M+NH4]+ 235.10772 152.8
[M+K]+ 256.03706 153.5
[M-H]- 216.06662 146.7
[M+Na-2H]- 238.04857 148.2
[M]+ 217.07335 146.8
[M]- 217.07445 146.8
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