CID 140552

2,9-dimethyl-5-decyne

Structural Information

Molecular Formula
C12H22
SMILES
CC(C)CCC#CCCC(C)C
InChI
InChI=1S/C12H22/c1-11(2)9-7-5-6-8-10-12(3)4/h11-12H,7-10H2,1-4H3
InChIKey
RCFYJIGZQAOTFV-UHFFFAOYSA-N
Compound name
2,9-dimethyldec-5-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

166.17215 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.17943 140.6
[M+Na]+ 189.16137 148.0
[M-H]- 165.16487 140.0
[M+NH4]+ 184.20597 159.5
[M+K]+ 205.13531 145.8
[M+H-H2O]+ 149.16941 130.0
[M+HCOO]- 211.17035 155.6
[M+CH3COO]- 225.18600 192.1
[M+Na-2H]- 187.14682 142.2
[M]+ 166.17160 136.9
[M]- 166.17270 136.9
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.