CID 28806277

(6-chloro-1h-indol-3-yl)methanamine

Structural Information

Molecular Formula
C9H9ClN2
SMILES
C1=CC2=C(C=C1Cl)NC=C2CN
InChI
InChI=1S/C9H9ClN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H,4,11H2
InChIKey
NQOGRCNBNZOBAV-UHFFFAOYSA-N
Compound name
(6-chloro-1H-indol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

180.04543 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.052706 134.9
[M+Na]+ 203.034648 146.2
[M-H]- 179.038154 137.0
[M+NH4]+ 198.079253 156.7
[M+K]+ 219.008588 140.1
[M+H-H2O]+ 163.042690 129.8
[M+HCOO]- 225.043631 154.6
[M+CH3COO]- 239.059281 148.9
[M+Na-2H]- 201.020096 141.7
[M]+ 180.04488142 135.5
[M]- 180.04597858 135.5
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