CID 103150

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

Structural Information

Molecular Formula
C16H35NO2
SMILES
CCCCCCCCCCN(CC(C)O)CC(C)O
InChI
InChI=1S/C16H35NO2/c1-4-5-6-7-8-9-10-11-12-17(13-15(2)18)14-16(3)19/h15-16,18-19H,4-14H2,1-3H3
InChIKey
BVNRDHVWLFPWFU-UHFFFAOYSA-N
Compound name
1-[decyl(2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

273.26678 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.27406 177.2
[M+Na]+ 296.25600 178.2
[M-H]- 272.25950 174.2
[M+NH4]+ 291.30060 192.4
[M+K]+ 312.22994 176.8
[M+H-H2O]+ 256.26404 170.5
[M+HCOO]- 318.26498 194.6
[M+CH3COO]- 332.28063 205.9
[M+Na-2H]- 294.24145 174.6
[M]+ 273.26623 180.4
[M]- 273.26733 180.4
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