CID 188007

2-(4-methyl-1h-indol-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C11H14N2
SMILES
CC1=C2C(=CC=C1)NC=C2CCN
InChI
InChI=1S/C11H14N2/c1-8-3-2-4-10-11(8)9(5-6-12)7-13-10/h2-4,7,13H,5-6,12H2,1H3
InChIKey
QCUCAQZMPVIYAJ-UHFFFAOYSA-N
Compound name
2-(4-methyl-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

152
Patents

174.11569 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 136.7
[M+Na]+ 197.104908 146.4
[M-H]- 173.108414 138.9
[M+NH4]+ 192.149513 158.0
[M+K]+ 213.078848 141.7
[M+H-H2O]+ 157.112950 130.7
[M+HCOO]- 219.113891 160.5
[M+CH3COO]- 233.129541 150.3
[M+Na-2H]- 195.090356 143.1
[M]+ 174.11514142 136.2
[M]- 174.11623858 136.2
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