CID 201999

7262-66-0

Structural Information

Molecular Formula
C15H21ClO3
SMILES
C1CCC2=C(C1)C=CC(=C2)OCC(CO)(CO)CCl
InChI
InChI=1S/C15H21ClO3/c16-8-15(9-17,10-18)11-19-14-6-5-12-3-1-2-4-13(12)7-14/h5-7,17-18H,1-4,8-11H2
InChIKey
MYGJMUNIOYFYCL-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.11792 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12520 164.8
[M+Na]+ 307.10714 170.2
[M-H]- 283.11064 165.5
[M+NH4]+ 302.15174 181.1
[M+K]+ 323.08108 164.9
[M+H-H2O]+ 267.11518 159.8
[M+HCOO]- 329.11612 175.9
[M+CH3COO]- 343.13177 193.8
[M+Na-2H]- 305.09259 169.9
[M]+ 284.11737 165.5
[M]- 284.11847 165.5
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

No patent data available for this compound.