CID 48344

66903-07-9

Structural Information

Molecular Formula
C17H28ClN
SMILES
CCN(CCCl)CC1=C(C=C(C=C1C(C)(C)C)C)C
InChI
InChI=1S/C17H28ClN/c1-7-19(9-8-18)12-15-14(3)10-13(2)11-16(15)17(4,5)6/h10-11H,7-9,12H2,1-6H3
InChIKey
JCGYBKKTHNNPLJ-UHFFFAOYSA-N
Compound name
N-[(2-tert-butyl-4,6-dimethylphenyl)methyl]-2-chloro-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.19104 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19832 170.1
[M+Na]+ 304.18026 177.6
[M-H]- 280.18376 174.9
[M+NH4]+ 299.22486 188.5
[M+K]+ 320.15420 173.5
[M+H-H2O]+ 264.18830 164.6
[M+HCOO]- 326.18924 187.4
[M+CH3COO]- 340.20489 210.7
[M+Na-2H]- 302.16571 171.6
[M]+ 281.19049 176.1
[M]- 281.19159 176.1
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.