CID 1837

22120-39-4

Structural Information

Molecular Formula
C13H18N2
SMILES
CC1=CC2=C(C=C1)NC=C2CCN(C)C
InChI
InChI=1S/C13H18N2/c1-10-4-5-13-12(8-10)11(9-14-13)6-7-15(2)3/h4-5,8-9,14H,6-7H2,1-3H3
InChIKey
NCGJLYBZSJSCIC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(5-methyl-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

202.147 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 146.1
[M+Na]+ 225.13622 155.0
[M-H]- 201.13972 149.8
[M+NH4]+ 220.18082 167.1
[M+K]+ 241.11016 151.5
[M+H-H2O]+ 185.14426 139.4
[M+HCOO]- 247.14520 170.2
[M+CH3COO]- 261.16085 191.1
[M+Na-2H]- 223.12167 151.6
[M]+ 202.14645 148.4
[M]- 202.14755 148.4
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