CID 204718

Wv 1141

Structural Information

Molecular Formula
C18H30ClNO
SMILES
CC1=CC(=C(C=C1Cl)C(C)C)OCCN(C(C)C)C(C)C
InChI
InChI=1S/C18H30ClNO/c1-12(2)16-11-17(19)15(7)10-18(16)21-9-8-20(13(3)4)14(5)6/h10-14H,8-9H2,1-7H3
InChIKey
RPRYDFSZCTXWFH-UHFFFAOYSA-N
Compound name
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2016 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20888 177.1
[M+Na]+ 334.19082 182.9
[M-H]- 310.19432 181.7
[M+NH4]+ 329.23542 193.9
[M+K]+ 350.16476 180.2
[M+H-H2O]+ 294.19886 171.2
[M+HCOO]- 356.19980 193.0
[M+CH3COO]- 370.21545 218.5
[M+Na-2H]- 332.17627 173.9
[M]+ 311.20105 183.8
[M]- 311.20215 183.8
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.