CID 595719

1048343-51-6

Structural Information

Molecular Formula
C11H13FN2
SMILES
CC1=C(C2=C(N1)C=CC(=C2)F)CCN
InChI
InChI=1S/C11H13FN2/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3
InChIKey
AXXQDWYYFLLDCG-UHFFFAOYSA-N
Compound name
2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

27
Patents

192.10628 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.113556 139.3
[M+Na]+ 215.095498 150.0
[M-H]- 191.099004 140.4
[M+NH4]+ 210.140103 160.1
[M+K]+ 231.069438 144.8
[M+H-H2O]+ 175.103540 132.5
[M+HCOO]- 237.104481 161.9
[M+CH3COO]- 251.120131 184.8
[M+Na-2H]- 213.080946 144.4
[M]+ 192.10573142 138.0
[M]- 192.10682858 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe