CID 448769

Carbazole butanoic acid

Structural Information

Molecular Formula
C16H15NO2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CCCC(=O)O
InChI
InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19)
InChIKey
HQAKVYGASUTQHH-UHFFFAOYSA-N
Compound name
4-carbazol-9-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

63
Patents

253.11028 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 157.0
[M+Na]+ 276.09950 166.4
[M-H]- 252.10300 160.2
[M+NH4]+ 271.14410 176.1
[M+K]+ 292.07344 161.1
[M+H-H2O]+ 236.10754 150.1
[M+HCOO]- 298.10848 177.9
[M+CH3COO]- 312.12413 169.4
[M+Na-2H]- 274.08495 162.9
[M]+ 253.10973 160.0
[M]- 253.11083 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe