CID 4961911

885461-48-3

Structural Information

Molecular Formula
C14H15NO2
SMILES
C1CCC2=C(CC1)NC3=C2C=C(C=C3)C(=O)O
InChI
InChI=1S/C14H15NO2/c16-14(17)9-6-7-13-11(8-9)10-4-2-1-3-5-12(10)15-13/h6-8,15H,1-5H2,(H,16,17)
InChIKey
SIZBLUIRHOCGJA-UHFFFAOYSA-N
Compound name
5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.11028 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 147.7
[M+Na]+ 252.09950 157.6
[M+NH4]+ 247.14410 155.3
[M+K]+ 268.07344 154.8
[M-H]- 228.10300 148.6
[M+Na-2H]- 250.08495 151.8
[M]+ 229.10973 149.2
[M]- 229.11083 149.2
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.