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

378
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 186.2
[M+Na]+ 324.28729 186.4
[M-H]- 300.29079 182.9
[M+NH4]+ 319.33189 200.3
[M+K]+ 340.26123 184.5
[M+H-H2O]+ 284.29533 179.1
[M+HCOO]- 346.29627 202.9
[M+CH3COO]- 360.31192 211.9
[M+Na-2H]- 322.27274 182.6
[M]+ 301.29752 190.1
[M]- 301.29862 190.1
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