CID 3083613

Capillene

Structural Information

Molecular Formula
C12H10
SMILES
CC#CC#CCC1=CC=CC=C1
InChI
InChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,9H2,1H3
InChIKey
WXQYRBLGGSLJHA-UHFFFAOYSA-N
Compound name
hexa-2,4-diynylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

194
Patents

154.07825 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08553 148.1
[M+Na]+ 177.06747 158.7
[M-H]- 153.07097 150.2
[M+NH4]+ 172.11207 162.0
[M+K]+ 193.04141 152.5
[M+H-H2O]+ 137.07551 134.3
[M+HCOO]- 199.07645 158.2
[M+CH3COO]- 213.09210 204.9
[M+Na-2H]- 175.05292 150.8
[M]+ 154.07770 139.5
[M]- 154.07880 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.