CID 6486609

1013-47-4

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=C2C(=CC=C1)C(=CN2)CC(C)N
InChI
InChI=1S/C12H16N2/c1-8-4-3-5-11-10(6-9(2)13)7-14-12(8)11/h3-5,7,9,14H,6,13H2,1-2H3
InChIKey
ISJMGGZLKGIAFX-UHFFFAOYSA-N
Compound name
1-(7-methyl-1H-indol-3-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

188.13135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 142.2
[M+Na]+ 211.12057 151.2
[M-H]- 187.12407 144.3
[M+NH4]+ 206.16517 162.9
[M+K]+ 227.09451 146.7
[M+H-H2O]+ 171.12861 136.1
[M+HCOO]- 233.12955 164.6
[M+CH3COO]- 247.14520 184.8
[M+Na-2H]- 209.10602 146.8
[M]+ 188.13080 141.3
[M]- 188.13190 141.3
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