CID 204740

Wv 357

Structural Information

Molecular Formula
C14H22ClNO
SMILES
CC1=CC(=C(C=C1Cl)C(C)C)OCCN(C)C
InChI
InChI=1S/C14H22ClNO/c1-10(2)12-9-13(15)11(3)8-14(12)17-7-6-16(4)5/h8-10H,6-7H2,1-5H3
InChIKey
YRVGGMZDBUCIJG-UHFFFAOYSA-N
Compound name
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13899 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14627 159.4
[M+Na]+ 278.12821 167.3
[M-H]- 254.13171 164.5
[M+NH4]+ 273.17281 178.5
[M+K]+ 294.10215 164.5
[M+H-H2O]+ 238.13625 153.8
[M+HCOO]- 300.13719 178.5
[M+CH3COO]- 314.15284 204.8
[M+Na-2H]- 276.11366 160.6
[M]+ 255.13844 165.7
[M]- 255.13954 165.7
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.