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
2
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]+ 248.237276 164.0
[M+Na]+ 270.219218 169.7
[M-H]- 246.222724 167.2
[M+NH4]+ 265.263823 181.9
[M+K]+ 286.193158 166.3
[M+H-H2O]+ 230.227260 157.4
[M+HCOO]- 292.228201 185.8
[M+CH3COO]- 306.243851 204.7
[M+Na-2H]- 268.204666 164.8
[M]+ 247.22945142 166.6
[M]- 247.23054858 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

patents stripe