CID 40849

53707-84-9

Structural Information

Molecular Formula
C11H15N3
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(CN)N
InChI
InChI=1S/C11H15N3/c12-6-9(13)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,12-13H2
InChIKey
WOXRSEJZTSQBNQ-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

189.1266 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13388 140.4
[M+Na]+ 212.11582 147.9
[M-H]- 188.11932 141.7
[M+NH4]+ 207.16042 160.0
[M+K]+ 228.08976 143.4
[M+H-H2O]+ 172.12386 133.7
[M+HCOO]- 234.12480 163.5
[M+CH3COO]- 248.14045 185.1
[M+Na-2H]- 210.10127 145.8
[M]+ 189.12605 137.1
[M]- 189.12715 137.1
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