CID 145909481

2377036-20-7

Structural Information

Molecular Formula
C9H9ClN2
SMILES
CN1C2=C(C=C(C=C2)Cl)C=C1N
InChI
InChI=1S/C9H9ClN2/c1-12-8-3-2-7(10)4-6(8)5-9(12)11/h2-5H,11H2,1H3
InChIKey
NRBSEJAWCSEIQH-UHFFFAOYSA-N
Compound name
5-chloro-1-methylindol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.052706 134.8
[M+Na]+ 203.034648 147.5
[M-H]- 179.038154 138.7
[M+NH4]+ 198.079253 157.7
[M+K]+ 219.008588 142.3
[M+H-H2O]+ 163.042690 129.7
[M+HCOO]- 225.043631 156.0
[M+CH3COO]- 239.059281 149.8
[M+Na-2H]- 201.020096 141.3
[M]+ 180.04488142 137.7
[M]- 180.04597858 137.7
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

No patent data available for this compound.