CID 201999

Hc 1533

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]+ 285.125196 164.8
[M+Na]+ 307.107138 170.2
[M-H]- 283.110644 165.5
[M+NH4]+ 302.151743 181.1
[M+K]+ 323.081078 164.9
[M+H-H2O]+ 267.115180 159.8
[M+HCOO]- 329.116121 175.9
[M+CH3COO]- 343.131771 193.8
[M+Na-2H]- 305.092586 169.9
[M]+ 284.11737142 165.5
[M]- 284.11846858 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.