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 158.7
[M+Na]+ 258.17027 163.1
[M-H]- 234.17377 163.0
[M+NH4]+ 253.21487 176.1
[M+K]+ 274.14421 156.4
[M+H-H2O]+ 218.17831 154.4
[M+HCOO]- 280.17925 181.7
[M+CH3COO]- 294.19490 195.2
[M+Na-2H]- 256.15572 161.9
[M]+ 235.18050 157.6
[M]- 235.18160 157.6
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.