CID 137838475

3-(chloromethyl)-1-(trimethylsilyl)hept-1-yn-3-ol

Structural Information

Molecular Formula
C11H21ClOSi
SMILES
CCCCC(CCl)(C#C[Si](C)(C)C)O
InChI
InChI=1S/C11H21ClOSi/c1-5-6-7-11(13,10-12)8-9-14(2,3)4/h13H,5-7,10H2,1-4H3
InChIKey
JRILMLLUPPYJHP-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-trimethylsilylhept-1-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10503 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11231 155.7
[M+Na]+ 255.09425 164.4
[M-H]- 231.09775 154.2
[M+NH4]+ 250.13885 173.1
[M+K]+ 271.06819 160.0
[M+H-H2O]+ 215.10229 146.6
[M+HCOO]- 277.10323 164.3
[M+CH3COO]- 291.11888 194.0
[M+Na-2H]- 253.07970 159.2
[M]+ 232.10448 153.3
[M]- 232.10558 153.3
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.