CID 3045273

Trimexiline

Structural Information

Molecular Formula
C17H29N
SMILES
CCCCCC(C)NCC1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C17H29N/c1-6-7-8-9-16(5)18-12-17-14(3)10-13(2)11-15(17)4/h10-11,16,18H,6-9,12H2,1-5H3
InChIKey
ZLVOFPSPMOLPJY-UHFFFAOYSA-N
Compound name
N-[(2,4,6-trimethylphenyl)methyl]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

247.23 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.23728 164.0
[M+Na]+ 270.21922 169.7
[M-H]- 246.22272 167.2
[M+NH4]+ 265.26382 181.9
[M+K]+ 286.19316 166.3
[M+H-H2O]+ 230.22726 157.4
[M+HCOO]- 292.22820 185.8
[M+CH3COO]- 306.24385 204.7
[M+Na-2H]- 268.20467 164.8
[M]+ 247.22945 166.6
[M]- 247.23055 166.6
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.