CID 69821

1-dodecyne

Structural Information

Molecular Formula
C12H22
SMILES
CCCCCCCCCCC#C
InChI
InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3
InChIKey
ZVDBUOGYYYNMQI-UHFFFAOYSA-N
Compound name
dodec-1-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

5083
Patents

166.17215 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.17943 137.5
[M+Na]+ 189.16137 145.1
[M-H]- 165.16487 136.6
[M+NH4]+ 184.20597 156.3
[M+K]+ 205.13531 142.2
[M+H-H2O]+ 149.16941 126.7
[M+HCOO]- 211.17035 154.2
[M+CH3COO]- 225.18600 191.9
[M+Na-2H]- 187.14682 141.6
[M]+ 166.17160 135.2
[M]- 166.17270 135.2
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.