CID 54247328

1-(1h-indol-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C10H12N2
SMILES
CC(C1=CC2=CC=CC=C2N1)N
InChI
InChI=1S/C10H12N2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7,12H,11H2,1H3
InChIKey
QUERAHCHJWZYJF-UHFFFAOYSA-N
Compound name
1-(1H-indol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

328
Patents

160.10005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 132.7
[M+Na]+ 183.08927 141.6
[M-H]- 159.09277 134.8
[M+NH4]+ 178.13387 154.2
[M+K]+ 199.06321 137.7
[M+H-H2O]+ 143.09731 126.7
[M+HCOO]- 205.09825 155.8
[M+CH3COO]- 219.11390 146.3
[M+Na-2H]- 181.07472 139.2
[M]+ 160.09950 130.8
[M]- 160.10060 130.8
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