CID 3064862

105892-07-7

Structural Information

Molecular Formula
C17H31N2O
SMILES
CC1=CC(=C(C(=C1)C)NCC(C[N+](C)(C)C(C)C)O)C
InChI
InChI=1S/C17H31N2O/c1-12(2)19(6,7)11-16(20)10-18-17-14(4)8-13(3)9-15(17)5/h8-9,12,16,18,20H,10-11H2,1-7H3/q+1
InChIKey
RZWRVYCWCOQVPN-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2,4,6-trimethylanilino)propyl]-dimethyl-propan-2-ylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.24365 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.25093 168.1
[M+Na]+ 302.23287 172.9
[M-H]- 278.23637 171.9
[M+NH4]+ 297.27747 184.3
[M+K]+ 318.20681 165.4
[M+H-H2O]+ 262.24091 164.7
[M+HCOO]- 324.24185 188.2
[M+CH3COO]- 338.25750 205.8
[M+Na-2H]- 300.21832 171.5
[M]+ 279.24310 168.5
[M]- 279.24420 168.5
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.