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]+ 235.144106 150.9
[M+Na]+ 257.126048 158.9
[M-H]- 233.129554 153.5
[M+NH4]+ 252.170653 169.6
[M+K]+ 273.099988 151.4
[M+H-H2O]+ 217.134090 149.8
[M+HCOO]- 279.135031 172.6
[M+CH3COO]- 293.150681 185.3
[M+Na-2H]- 255.111496 159.3
[M]+ 234.13628142 151.1
[M]- 234.13737858 151.1
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.