CID 329680

1-undecylcyclopent-2-ene

Structural Information

Molecular Formula
C16H30
SMILES
CCCCCCCCCCCC1CCC=C1
InChI
InChI=1S/C16H30/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-16/h11,14,16H,2-10,12-13,15H2,1H3
InChIKey
ORDYQBBWOHTMIZ-UHFFFAOYSA-N
Compound name
3-undecylcyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

222.23476 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.242036 161.1
[M+Na]+ 245.223978 164.4
[M-H]- 221.227484 162.8
[M+NH4]+ 240.268583 181.2
[M+K]+ 261.197918 161.2
[M+H-H2O]+ 205.232020 154.5
[M+HCOO]- 267.232961 182.5
[M+CH3COO]- 281.248611 193.3
[M+Na-2H]- 243.209426 162.1
[M]+ 222.23421142 162.8
[M]- 222.23530858 162.8
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