CID 102645

1,1'-(dodecylimino)dipropan-2-ol

Structural Information

Molecular Formula
C18H39NO2
SMILES
CCCCCCCCCCCCN(CC(C)O)CC(C)O
InChI
InChI=1S/C18H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-19(15-17(2)20)16-18(3)21/h17-18,20-21H,4-16H2,1-3H3
InChIKey
BZJZJFAPSOEUFE-UHFFFAOYSA-N
Compound name
1-[dodecyl(2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

349
Patents

301.29807 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.30535 182.3
[M+Na]+ 324.28729 187.5
[M+NH4]+ 319.33189 187.2
[M+K]+ 340.26123 181.9
[M-H]- 300.29079 180.4
[M+Na-2H]- 322.27274 181.3
[M]+ 301.29752 182.0
[M]- 301.29862 182.0
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

patents stripe