CID 86606

1-chloro-3-(dodecyloxy)propan-2-ol

Structural Information

Molecular Formula
C15H31ClO2
SMILES
CCCCCCCCCCCCOCC(CCl)O
InChI
InChI=1S/C15H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h15,17H,2-14H2,1H3
InChIKey
BYAAUZDTUKVBDS-UHFFFAOYSA-N
Compound name
1-chloro-3-dodecoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

278.20126 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.20854 172.3
[M+Na]+ 301.19048 176.0
[M-H]- 277.19398 169.5
[M+NH4]+ 296.23508 188.8
[M+K]+ 317.16442 171.6
[M+H-H2O]+ 261.19852 167.2
[M+HCOO]- 323.19946 186.7
[M+CH3COO]- 337.21511 200.1
[M+Na-2H]- 299.17593 172.4
[M]+ 278.20071 179.2
[M]- 278.20181 179.2
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