CID 520182

5-methyltridecane

Structural Information

Molecular Formula
C14H30
SMILES
CCCCCCCCC(C)CCCC
InChI
InChI=1S/C14H30/c1-4-6-8-9-10-11-13-14(3)12-7-5-2/h14H,4-13H2,1-3H3
InChIKey
NFWBQMAWXUZCRJ-UHFFFAOYSA-N
Compound name
5-methyltridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2923
Patents

198.23476 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.242036 156.0
[M+Na]+ 221.223978 159.7
[M-H]- 197.227484 155.0
[M+NH4]+ 216.268583 175.7
[M+K]+ 237.197918 158.0
[M+H-H2O]+ 181.232020 150.4
[M+HCOO]- 243.232961 176.2
[M+CH3COO]- 257.248611 192.5
[M+Na-2H]- 219.209426 157.6
[M]+ 198.23421142 159.7
[M]- 198.23530858 159.7
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