CID 65335825

1360899-75-7

Structural Information

Molecular Formula
C10H11ClN2
SMILES
CC1=C(C2=C(N1)C(=CC=C2)Cl)CN
InChI
InChI=1S/C10H11ClN2/c1-6-8(5-12)7-3-2-4-9(11)10(7)13-6/h2-4,13H,5,12H2,1H3
InChIKey
ZHPCECGZSYALTN-UHFFFAOYSA-N
Compound name
(7-chloro-2-methyl-1H-indol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06108 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.068356 139.9
[M+Na]+ 217.050298 151.7
[M-H]- 193.053804 142.2
[M+NH4]+ 212.094903 161.5
[M+K]+ 233.024238 145.3
[M+H-H2O]+ 177.058340 134.9
[M+HCOO]- 239.059281 159.2
[M+CH3COO]- 253.074931 153.7
[M+Na-2H]- 215.035746 145.4
[M]+ 194.06053142 141.2
[M]- 194.06162858 141.2
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.