CID 17221796

946680-47-3

Structural Information

Molecular Formula
C11H14N2
SMILES
CCNCC1=CC2=C(C=C1)NC=C2
InChI
InChI=1S/C11H14N2/c1-2-12-8-9-3-4-11-10(7-9)5-6-13-11/h3-7,12-13H,2,8H2,1H3
InChIKey
MMFJXQBVMPJAPO-UHFFFAOYSA-N
Compound name
N-(1H-indol-5-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.11569 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 136.0
[M+Na]+ 197.104908 144.7
[M-H]- 173.108414 138.3
[M+NH4]+ 192.149513 157.2
[M+K]+ 213.078848 140.4
[M+H-H2O]+ 157.112950 129.6
[M+HCOO]- 219.113891 160.4
[M+CH3COO]- 233.129541 149.5
[M+Na-2H]- 195.090356 144.2
[M]+ 174.11514142 136.0
[M]- 174.11623858 136.0
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.