CID 3022159

93658-67-4

Structural Information

Molecular Formula
C17H37NO2
SMILES
CCCCCCCCCCCCOCCOCCCN
InChI
InChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-14-19-16-17-20-15-12-13-18/h2-18H2,1H3
InChIKey
IJTRRVLQJZAJCB-UHFFFAOYSA-N
Compound name
3-(2-dodecoxyethoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.28244 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.289716 178.5
[M+Na]+ 310.271658 180.2
[M-H]- 286.275164 176.0
[M+NH4]+ 305.316263 193.8
[M+K]+ 326.245598 177.6
[M+H-H2O]+ 270.279700 171.1
[M+HCOO]- 332.280641 199.5
[M+CH3COO]- 346.296291 208.4
[M+Na-2H]- 308.257106 178.9
[M]+ 287.28189142 185.0
[M]- 287.28298858 185.0
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.