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
2
Annotation Hits

0
References

67
Patents

273.26678 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.274056 177.2
[M+Na]+ 296.255998 178.2
[M-H]- 272.259504 174.2
[M+NH4]+ 291.300603 192.4
[M+K]+ 312.229938 176.8
[M+H-H2O]+ 256.264040 170.5
[M+HCOO]- 318.264981 194.6
[M+CH3COO]- 332.280631 205.9
[M+Na-2H]- 294.241446 174.6
[M]+ 273.26623142 180.4
[M]- 273.26732858 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