CID 59498

102571-20-0

Structural Information

Molecular Formula
C17H30NO
SMILES
CC[N+](C)(CC)CCOC1=C(C=CC(=C1)C)C(C)C
InChI
InChI=1S/C17H30NO/c1-7-18(6,8-2)11-12-19-17-13-15(5)9-10-16(17)14(3)4/h9-10,13-14H,7-8,11-12H2,1-6H3/q+1
InChIKey
NAODNBGMXRQKRU-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.23273 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.24001 165.4
[M+Na]+ 287.22195 170.9
[M-H]- 263.22545 170.2
[M+NH4]+ 282.26655 183.1
[M+K]+ 303.19589 163.7
[M+H-H2O]+ 247.22999 161.7
[M+HCOO]- 309.23093 187.0
[M+CH3COO]- 323.24658 201.9
[M+Na-2H]- 285.20740 170.6
[M]+ 264.23218 168.8
[M]- 264.23328 168.8
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.