CID 59007

101832-77-3

Structural Information

Molecular Formula
C16H16N2
SMILES
C1=CC=C(C=C1)CC2=CNC3=C2C=C(C=C3)CN
InChI
InChI=1S/C16H16N2/c17-10-13-6-7-16-15(9-13)14(11-18-16)8-12-4-2-1-3-5-12/h1-7,9,11,18H,8,10,17H2
InChIKey
BTJOWOMZZPOCKF-UHFFFAOYSA-N
Compound name
(3-benzyl-1H-indol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.138626 152.7
[M+Na]+ 259.120568 161.6
[M-H]- 235.124074 157.8
[M+NH4]+ 254.165173 170.9
[M+K]+ 275.094508 154.9
[M+H-H2O]+ 219.128610 145.1
[M+HCOO]- 281.129551 176.2
[M+CH3COO]- 295.145201 165.1
[M+Na-2H]- 257.106016 158.8
[M]+ 236.13080142 151.4
[M]- 236.13189858 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.