CID 504069

Methyl 9h-carbazole-3-carboxylate

Structural Information

Molecular Formula
C14H11NO2
SMILES
COC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C32
InChI
InChI=1S/C14H11NO2/c1-17-14(16)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,15H,1H3
InChIKey
LZXXHWWSVRIDGR-UHFFFAOYSA-N
Compound name
methyl 9H-carbazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

78
Patents

225.07898 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.086256 147.7
[M+Na]+ 248.068198 158.1
[M-H]- 224.071704 151.4
[M+NH4]+ 243.112803 168.0
[M+K]+ 264.042138 153.3
[M+H-H2O]+ 208.076240 141.3
[M+HCOO]- 270.077181 169.3
[M+CH3COO]- 284.092831 161.0
[M+Na-2H]- 246.053646 154.7
[M]+ 225.07843142 150.0
[M]- 225.07952858 150.0
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