CID 181513

37125-92-1

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=C(C2=CC=CC=C2N1)CN(C)C
InChI
InChI=1S/C12H16N2/c1-9-11(8-14(2)3)10-6-4-5-7-12(10)13-9/h4-7,13H,8H2,1-3H3
InChIKey
AJNMXMZCRHTBEH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

25
Patents

188.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 141.3
[M+Na]+ 211.12057 150.7
[M-H]- 187.12407 145.3
[M+NH4]+ 206.16517 162.9
[M+K]+ 227.09451 147.4
[M+H-H2O]+ 171.12861 134.9
[M+HCOO]- 233.12955 165.8
[M+CH3COO]- 247.14520 188.1
[M+Na-2H]- 209.10602 147.4
[M]+ 188.13080 143.3
[M]- 188.13190 143.3
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