CID 550666

(3z)-9-methyl-3-undecene

Structural Information

Molecular Formula
C12H24
SMILES
CCC=CCCCCC(C)CC
InChI
InChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h6-7,12H,4-5,8-11H2,1-3H3
InChIKey
RTETXCZSLJTHLA-UHFFFAOYSA-N
Compound name
9-methylundec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

168.1878 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.19508 145.2
[M+Na]+ 191.17702 150.1
[M-H]- 167.18052 144.7
[M+NH4]+ 186.22162 166.1
[M+K]+ 207.15096 148.3
[M+H-H2O]+ 151.18506 140.2
[M+HCOO]- 213.18600 166.3
[M+CH3COO]- 227.20165 184.8
[M+Na-2H]- 189.16247 148.0
[M]+ 168.18725 147.4
[M]- 168.18835 147.4
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.