CID 3039033

42062-38-4

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CN1C=C(C2=CC=CC=C21)C(C[N+](C)(C)[O-])O
InChI
InChI=1S/C13H18N2O2/c1-14-8-11(13(16)9-15(2,3)17)10-6-4-5-7-12(10)14/h4-8,13,16H,9H2,1-3H3
InChIKey
FVXCPSUPZTYLCL-UHFFFAOYSA-N
Compound name
2-hydroxy-N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 149.9
[M+Na]+ 257.12605 163.2
[M+NH4]+ 252.17065 158.5
[M+K]+ 273.09999 161.4
[M-H]- 233.12955 152.6
[M+Na-2H]- 255.11150 155.8
[M]+ 234.13628 152.6
[M]- 234.13738 152.6
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.