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

2146
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 135.5
[M+Na]+ 175.14572 146.2
[M+NH4]+ 170.19032 140.4
[M+K]+ 191.11966 135.7
[M-H]- 151.14922 128.2
[M+Na-2H]- 173.13117 137.0
[M]+ 152.15595 134.1
[M]- 152.15705 134.1
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