CID 3412581

20321-69-1

Structural Information

Molecular Formula
C14H21N2O
SMILES
C[N+](C)(C)CC1=C(C2=CC=CC=C2N1)CCO
InChI
InChI=1S/C14H21N2O/c1-16(2,3)10-14-12(8-9-17)11-6-4-5-7-13(11)15-14/h4-7,15,17H,8-10H2,1-3H3/q+1
InChIKey
HLEKAZXYYLALOQ-UHFFFAOYSA-N
Compound name
[3-(2-hydroxyethyl)-1H-indol-2-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.16539 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.17267 153.1
[M+Na]+ 256.15461 161.4
[M-H]- 232.15811 155.7
[M+NH4]+ 251.19921 172.2
[M+K]+ 272.12855 151.7
[M+H-H2O]+ 216.16265 149.8
[M+HCOO]- 278.16359 174.4
[M+CH3COO]- 292.17924 186.2
[M+Na-2H]- 254.14006 162.2
[M]+ 233.16484 153.7
[M]- 233.16594 153.7
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.