CID 5358328

1,4-undecadiene

Structural Information

Molecular Formula
C11H20
SMILES
CCCCCC/C=C/CC=C
InChI
InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,7,9H,1,4-6,8,10-11H2,2H3/b9-7+
InChIKey
KHZYHTLTISWFGH-VQHVLOKHSA-N
Compound name
(4E)-undeca-1,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
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 138.3
[M+Na]+ 175.14572 144.2
[M-H]- 151.14922 137.9
[M+NH4]+ 170.19032 159.8
[M+K]+ 191.11966 141.6
[M+H-H2O]+ 135.15376 133.5
[M+HCOO]- 197.15470 160.9
[M+CH3COO]- 211.17035 180.1
[M+Na-2H]- 173.13117 143.0
[M]+ 152.15595 140.1
[M]- 152.15705 140.1
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