CID 118810

2-methyl-7-octadecyne

Structural Information

Molecular Formula
C19H36
SMILES
CCCCCCCCCCC#CCCCCC(C)C
InChI
InChI=1S/C19H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-12,15-18H2,1-3H3
InChIKey
WQMKDHREUPHQQE-UHFFFAOYSA-N
Compound name
2-methyloctadec-7-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

264.2817 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.28898 167.1
[M+Na]+ 287.27092 172.1
[M-H]- 263.27442 165.2
[M+NH4]+ 282.31552 182.5
[M+K]+ 303.24486 167.7
[M+H-H2O]+ 247.27896 155.2
[M+HCOO]- 309.27990 180.9
[M+CH3COO]- 323.29555 210.1
[M+Na-2H]- 285.25637 166.6
[M]+ 264.28115 166.4
[M]- 264.28225 166.4
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.