CID 116763

7-pentadecyne, 1-chloro-13-methyl-

Structural Information

Molecular Formula
C16H29Cl
SMILES
CCC(C)CCCCC#CCCCCCCCl
InChI
InChI=1S/C16H29Cl/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17/h16H,3,5,7-15H2,1-2H3
InChIKey
HTWKNNJMZHCKAI-UHFFFAOYSA-N
Compound name
1-chloro-13-methylpentadec-7-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.19577 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.20305 160.4
[M+Na]+ 279.18499 167.5
[M-H]- 255.18849 159.0
[M+NH4]+ 274.22959 176.9
[M+K]+ 295.15893 161.7
[M+H-H2O]+ 239.19303 149.8
[M+HCOO]- 301.19397 171.2
[M+CH3COO]- 315.20962 205.4
[M+Na-2H]- 277.17044 161.0
[M]+ 256.19522 160.3
[M]- 256.19632 160.3
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.