CID 472107

(1h-indol-3-yl)methanamine

Structural Information

Molecular Formula
C9H10N2
SMILES
C1=CC=C2C(=C1)C(=CN2)CN
InChI
InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2
InChIKey
JXYGLMATGAAIBU-UHFFFAOYSA-N
Compound name
1H-indol-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

563
Patents

146.0844 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 127.6
[M+Na]+ 169.07362 140.5
[M+NH4]+ 164.11822 137.1
[M+K]+ 185.04756 135.4
[M-H]- 145.07712 130.2
[M+Na-2H]- 167.05907 134.9
[M]+ 146.08385 130.1
[M]- 146.08495 130.1
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