CID 86105

2-ethyl-n-(3-ethylhexyl)-n-methylhexan-1-amine

Structural Information

Molecular Formula
C17H37N
SMILES
CCCCC(CC)CN(C)CCC(CC)CCC
InChI
InChI=1S/C17H37N/c1-6-10-12-17(9-4)15-18(5)14-13-16(8-3)11-7-2/h16-17H,6-15H2,1-5H3
InChIKey
YPPABUNVRPVZEI-UHFFFAOYSA-N
Compound name
2-ethyl-N-(3-ethylhexyl)-N-methylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.2926 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.299876 174.9
[M+Na]+ 278.281818 176.5
[M-H]- 254.285324 174.8
[M+NH4]+ 273.326423 192.5
[M+K]+ 294.255758 175.6
[M+H-H2O]+ 238.289860 168.1
[M+HCOO]- 300.290801 194.6
[M+CH3COO]- 314.306451 210.5
[M+Na-2H]- 276.267266 172.9
[M]+ 255.29205142 179.6
[M]- 255.29314858 179.6
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.