CID 50999021

1-benzyl-1h-indol-3-amine hydrochloride

Structural Information

Molecular Formula
C15H14N2
SMILES
C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)N
InChI
InChI=1S/C15H14N2/c16-14-11-17(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10,16H2
InChIKey
RRARIDBNHNSFDV-UHFFFAOYSA-N
Compound name
1-benzylindol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11569 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 148.2
[M+Na]+ 245.10491 157.9
[M-H]- 221.10841 154.8
[M+NH4]+ 240.14951 167.7
[M+K]+ 261.07885 152.3
[M+H-H2O]+ 205.11295 140.4
[M+HCOO]- 267.11389 173.5
[M+CH3COO]- 281.12954 161.7
[M+Na-2H]- 243.09036 155.2
[M]+ 222.11514 148.3
[M]- 222.11624 148.3
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.