CID 75249

1-undecyne

Structural Information

Molecular Formula
C11H20
SMILES
CCCCCCCCCC#C
InChI
InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3
InChIKey
YVSFLVNWJIEJRV-UHFFFAOYSA-N
Compound name
undec-1-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2622
Patents

152.1565 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.16378 133.5
[M+Na]+ 175.14572 141.5
[M-H]- 151.14922 132.8
[M+NH4]+ 170.19032 152.9
[M+K]+ 191.11966 138.9
[M+H-H2O]+ 135.15376 122.9
[M+HCOO]- 197.15470 150.6
[M+CH3COO]- 211.17035 189.2
[M+Na-2H]- 173.13117 138.1
[M]+ 152.15595 130.9
[M]- 152.15705 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe