CID 21388520

1,1'-(tridecylimino)bis-2-propanol

Structural Information

Molecular Formula
C19H41NO2
SMILES
CCCCCCCCCCCCCN(CC(C)O)CC(C)O
InChI
InChI=1S/C19H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(16-18(2)21)17-19(3)22/h18-19,21-22H,4-17H2,1-3H3
InChIKey
WFAMPSHDEGZREP-UHFFFAOYSA-N
Compound name
1-[2-hydroxypropyl(tridecyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

315.31372 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.32100 190.7
[M+Na]+ 338.30294 190.4
[M-H]- 314.30644 187.1
[M+NH4]+ 333.34754 204.2
[M+K]+ 354.27688 188.3
[M+H-H2O]+ 298.31098 183.4
[M+HCOO]- 360.31192 207.1
[M+CH3COO]- 374.32757 214.8
[M+Na-2H]- 336.28839 186.5
[M]+ 315.31317 195.0
[M]- 315.31427 195.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe