CID 82503823

(6-chloro-1h-indol-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C9H9ClN2
SMILES
C1=CC2=C(C=C1Cl)NC(=C2)CN
InChI
InChI=1S/C9H9ClN2/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-4,12H,5,11H2
InChIKey
WWVAAHJCJQMGKD-UHFFFAOYSA-N
Compound name
(6-chloro-1H-indol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.04543 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05271 134.9
[M+Na]+ 203.03465 146.2
[M-H]- 179.03815 137.0
[M+NH4]+ 198.07925 156.7
[M+K]+ 219.00859 140.1
[M+H-H2O]+ 163.04269 129.8
[M+HCOO]- 225.04363 154.6
[M+CH3COO]- 239.05928 148.9
[M+Na-2H]- 201.02010 141.7
[M]+ 180.04488 135.5
[M]- 180.04598 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