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 150.9
[M+Na]+ 257.12605 158.9
[M-H]- 233.12955 153.5
[M+NH4]+ 252.17065 169.6
[M+K]+ 273.09999 151.4
[M+H-H2O]+ 217.13409 149.8
[M+HCOO]- 279.13503 172.6
[M+CH3COO]- 293.15068 185.3
[M+Na-2H]- 255.11150 159.3
[M]+ 234.13628 151.1
[M]- 234.13738 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.