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]+ 237.13863 152.7
[M+Na]+ 259.12057 161.6
[M-H]- 235.12407 157.8
[M+NH4]+ 254.16517 170.9
[M+K]+ 275.09451 154.9
[M+H-H2O]+ 219.12861 145.1
[M+HCOO]- 281.12955 176.2
[M+CH3COO]- 295.14520 165.1
[M+Na-2H]- 257.10602 158.8
[M]+ 236.13080 151.4
[M]- 236.13190 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.