CID 549973

2-methyl-2-undecene

Structural Information

Molecular Formula
C12H24
SMILES
CCCCCCCCC=C(C)C
InChI
InChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h11H,4-10H2,1-3H3
InChIKey
SMDXUIYTBVHJNX-UHFFFAOYSA-N
Compound name
2-methylundec-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

168.1878 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.195076 145.2
[M+Na]+ 191.177018 150.1
[M-H]- 167.180524 144.7
[M+NH4]+ 186.221623 166.1
[M+K]+ 207.150958 148.3
[M+H-H2O]+ 151.185060 140.2
[M+HCOO]- 213.186001 166.3
[M+CH3COO]- 227.201651 184.8
[M+Na-2H]- 189.162466 148.0
[M]+ 168.18725142 147.4
[M]- 168.18834858 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

literature stripe

Patent stripe

patents stripe