CID 16205898

Ns00063672

Structural Information

Molecular Formula
C14H22ClNO
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCCN(C)C)Cl
InChI
InChI=1S/C14H22ClNO/c1-10(2)12-7-6-11(3)13(15)14(12)17-9-8-16(4)5/h6-7,10H,8-9H2,1-5H3
InChIKey
MCLKWAFLFNRWRP-UHFFFAOYSA-N
Compound name
2-(2-chloro-3-methyl-6-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

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.146266 159.4
[M+Na]+ 278.128208 167.3
[M-H]- 254.131714 164.5
[M+NH4]+ 273.172813 178.5
[M+K]+ 294.102148 164.5
[M+H-H2O]+ 238.136250 153.8
[M+HCOO]- 300.137191 178.5
[M+CH3COO]- 314.152841 204.8
[M+Na-2H]- 276.113656 160.6
[M]+ 255.13844142 165.7
[M]- 255.13953858 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.