CID 137530

5-undecyne

Structural Information

Molecular Formula
C11H20
SMILES
CCCCCC#CCCCC
InChI
InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3-9H2,1-2H3
InChIKey
VRQLDBSWBBKOCR-UHFFFAOYSA-N
Compound name
undec-5-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

361
Patents

152.1565 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.16378 134.1
[M+Na]+ 175.14572 142.3
[M-H]- 151.14922 133.5
[M+NH4]+ 170.19032 153.7
[M+K]+ 191.11966 139.7
[M+H-H2O]+ 135.15376 123.6
[M+HCOO]- 197.15470 151.2
[M+CH3COO]- 211.17035 187.9
[M+Na-2H]- 173.13117 138.7
[M]+ 152.15595 131.4
[M]- 152.15705 131.4
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