CID 88721

20892-46-0

Structural Information

Molecular Formula
C13H18N2
SMILES
CN(C)CCCN1C=CC2=CC=CC=C21
InChI
InChI=1S/C13H18N2/c1-14(2)9-5-10-15-11-8-12-6-3-4-7-13(12)15/h3-4,6-8,11H,5,9-10H2,1-2H3
InChIKey
VZQZKEYQPBNATK-UHFFFAOYSA-N
Compound name
3-indol-1-yl-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

38
Patents

202.147 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 145.9
[M+Na]+ 225.136218 154.2
[M-H]- 201.139724 150.6
[M+NH4]+ 220.180823 167.3
[M+K]+ 241.110158 151.7
[M+H-H2O]+ 185.144260 138.6
[M+HCOO]- 247.145201 171.5
[M+CH3COO]- 261.160851 192.6
[M+Na-2H]- 223.121666 152.5
[M]+ 202.14645142 149.7
[M]- 202.14754858 149.7
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