CID 15289555

2,5-dimethylheptadecane

Structural Information

Molecular Formula
C19H40
SMILES
CCCCCCCCCCCCC(C)CCC(C)C
InChI
InChI=1S/C19H40/c1-5-6-7-8-9-10-11-12-13-14-15-19(4)17-16-18(2)3/h18-19H,5-17H2,1-4H3
InChIKey
COQGQTARORRRMG-UHFFFAOYSA-N
Compound name
2,5-dimethylheptadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

268.313 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.32028 179.5
[M+Na]+ 291.30222 180.9
[M-H]- 267.30572 177.6
[M+NH4]+ 286.34682 196.3
[M+K]+ 307.27616 178.2
[M+H-H2O]+ 251.31026 173.0
[M+HCOO]- 313.31120 197.0
[M+CH3COO]- 327.32685 208.2
[M+Na-2H]- 289.28767 177.0
[M]+ 268.31245 184.4
[M]- 268.31355 184.4
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