CID 30096

Su-198 hydrochloride

Structural Information

Molecular Formula
C14H23N2O
SMILES
CC(C)C1=CC=C(C=C1)COCC(=[N+](C)C)N
InChI
InChI=1S/C14H22N2O/c1-11(2)13-7-5-12(6-8-13)9-17-10-14(15)16(3)4/h5-8,11,15H,9-10H2,1-4H3/p+1
InChIKey
WZMMRBKTLFXOHF-UHFFFAOYSA-O
Compound name
[1-amino-2-[(4-propan-2-ylphenyl)methoxy]ethylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.18105 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.18833 156.0
[M+Na]+ 258.17027 167.7
[M+NH4]+ 253.21487 164.5
[M+K]+ 274.14421 162.7
[M-H]- 234.17377 160.5
[M+Na-2H]- 256.15572 162.1
[M]+ 235.18050 159.0
[M]- 235.18160 159.0
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.