CID 158820266

Methyl 4-chloro-6-methyl-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
CC1=CC2=C(C=C(N2)C(=O)OC)C(=C1)Cl
InChI
InChI=1S/C11H10ClNO2/c1-6-3-8(12)7-5-10(11(14)15-2)13-9(7)4-6/h3-5,13H,1-2H3
InChIKey
BWBODDQIUZDPEH-UHFFFAOYSA-N
Compound name
methyl 4-chloro-6-methyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.04001 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04729 144.8
[M+Na]+ 246.02923 156.9
[M-H]- 222.03273 147.8
[M+NH4]+ 241.07383 165.7
[M+K]+ 262.00317 151.8
[M+H-H2O]+ 206.03727 139.9
[M+HCOO]- 268.03821 163.0
[M+CH3COO]- 282.05386 185.1
[M+Na-2H]- 244.01468 149.3
[M]+ 223.03946 149.7
[M]- 223.04056 149.7
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