CID 85912456

3,3-diethylpentadecane

Structural Information

Molecular Formula
C19H40
SMILES
CCCCCCCCCCCCC(CC)(CC)CC
InChI
InChI=1S/C19H40/c1-5-9-10-11-12-13-14-15-16-17-18-19(6-2,7-3)8-4/h5-18H2,1-4H3
InChIKey
FUFJQEHAKXDXFH-UHFFFAOYSA-N
Compound name
3,3-diethylpentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.313 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.320276 178.1
[M+Na]+ 291.302218 180.5
[M-H]- 267.305724 176.4
[M+NH4]+ 286.346823 195.2
[M+K]+ 307.276158 177.3
[M+H-H2O]+ 251.310260 172.1
[M+HCOO]- 313.311201 196.1
[M+CH3COO]- 327.326851 207.1
[M+Na-2H]- 289.287666 178.9
[M]+ 268.31245142 184.0
[M]- 268.31354858 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe