CID 15979

Pristane

Structural Information

Molecular Formula
C19H40
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)C
InChI
InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3
InChIKey
XOJVVFBFDXDTEG-UHFFFAOYSA-N
Compound name
2,6,10,14-tetramethylpentadecane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

567
References

80727
Patents

268.313 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.32028 179.8
[M+Na]+ 291.30222 180.8
[M-H]- 267.30572 178.1
[M+NH4]+ 286.34682 196.5
[M+K]+ 307.27616 179.0
[M+H-H2O]+ 251.31026 173.6
[M+HCOO]- 313.31120 195.3
[M+CH3COO]- 327.32685 209.8
[M+Na-2H]- 289.28767 174.8
[M]+ 268.31245 183.4
[M]- 268.31355 183.4
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