CID 23459

2-methylundecane

Structural Information

Molecular Formula
C12H26
SMILES
CCCCCCCCCC(C)C
InChI
InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3
InChIKey
GTJOHISYCKPIMT-UHFFFAOYSA-N
Compound name
2-methylundecane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

56670
Patents

170.20345 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.210726 146.8
[M+Na]+ 193.192668 151.3
[M-H]- 169.196174 146.1
[M+NH4]+ 188.237273 167.6
[M+K]+ 209.166608 150.1
[M+H-H2O]+ 153.200710 141.6
[M+HCOO]- 215.201651 167.6
[M+CH3COO]- 229.217301 186.5
[M+Na-2H]- 191.178116 149.5
[M]+ 170.20290142 149.7
[M]- 170.20399858 149.7
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