CID 30874

1,12-tridecadiene

Structural Information

Molecular Formula
C13H24
SMILES
C=CCCCCCCCCCC=C
InChI
InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4H,1-2,5-13H2
InChIKey
BPHFKBMQSYYNGQ-UHFFFAOYSA-N
Compound name
trideca-1,12-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2352
Patents

180.1878 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.19508 147.2
[M+Na]+ 203.17702 152.2
[M-H]- 179.18052 146.4
[M+NH4]+ 198.22162 167.5
[M+K]+ 219.15096 149.1
[M+H-H2O]+ 163.18506 142.0
[M+HCOO]- 225.18600 169.2
[M+CH3COO]- 239.20165 186.9
[M+Na-2H]- 201.16247 150.8
[M]+ 180.18725 149.9
[M]- 180.18835 149.9
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