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

10
Patents

180.04543 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05271 133.4
[M+Na]+ 203.03465 147.5
[M+NH4]+ 198.07925 143.1
[M+K]+ 219.00859 141.7
[M-H]- 179.03815 136.1
[M+Na-2H]- 201.02010 140.5
[M]+ 180.04488 136.4
[M]- 180.04598 136.4
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