CID 111421

3-[(6-propyldecyl)oxy]propan-1-amine

Structural Information

Molecular Formula
C16H35NO
SMILES
CCCCC(CCC)CCCCCOCCCN
InChI
InChI=1S/C16H35NO/c1-3-5-11-16(10-4-2)12-7-6-8-14-18-15-9-13-17/h16H,3-15,17H2,1-2H3
InChIKey
XXELRZPDKMOXBT-UHFFFAOYSA-N
Compound name
3-(6-propyldecoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.27185 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.279126 172.7
[M+Na]+ 280.261068 174.6
[M-H]- 256.264574 170.6
[M+NH4]+ 275.305673 189.3
[M+K]+ 296.235008 172.3
[M+H-H2O]+ 240.269110 165.9
[M+HCOO]- 302.270051 192.8
[M+CH3COO]- 316.285701 204.3
[M+Na-2H]- 278.246516 172.2
[M]+ 257.27130142 176.7
[M]- 257.27239858 176.7
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.