CID 141274

1-heptadecyne

Structural Information

Molecular Formula
C17H32
SMILES
CCCCCCCCCCCCCCCC#C
InChI
InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1H,4-17H2,2H3
InChIKey
DQDNKQWGBZFFRA-UHFFFAOYSA-N
Compound name
heptadec-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1604
Patents

236.2504 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.25768 157.0
[M+Na]+ 259.23962 162.8
[M-H]- 235.24312 155.3
[M+NH4]+ 254.28422 173.4
[M+K]+ 275.21356 158.6
[M+H-H2O]+ 219.24766 145.4
[M+HCOO]- 281.24860 172.3
[M+CH3COO]- 295.26425 205.3
[M+Na-2H]- 257.22507 158.7
[M]+ 236.24985 156.5
[M]- 236.25095 156.5
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.