CID 6494649

883548-14-9

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=CC(=C2C(=C1)C(=C(N2)C)C)CN
InChI
InChI=1S/C12H16N2/c1-7-4-10(6-13)12-11(5-7)8(2)9(3)14-12/h4-5,14H,6,13H2,1-3H3
InChIKey
HZZZEHAXBWZLDU-UHFFFAOYSA-N
Compound name
(2,3,5-trimethyl-1H-indol-7-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

188.13135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 141.7
[M+Na]+ 211.120568 152.8
[M-H]- 187.124074 144.5
[M+NH4]+ 206.165173 163.1
[M+K]+ 227.094508 147.9
[M+H-H2O]+ 171.128610 136.1
[M+HCOO]- 233.129551 165.0
[M+CH3COO]- 247.145201 186.4
[M+Na-2H]- 209.106016 146.0
[M]+ 188.13080142 142.2
[M]- 188.13189858 142.2
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

No patent data available for this compound.