CID 3085224

61693-08-1

Structural Information

Molecular Formula
C33H68
SMILES
CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C
InChI
InChI=1S/C33H68/c1-26(2,3)19-28(7,8)21-30(11,12)23-32(15,16)25-33(17,18)24-31(13,14)22-29(9,10)20-27(4,5)6/h19-25H2,1-18H3
InChIKey
UCUGLVJQUIRCPK-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5190
Patents

464.5321 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.539376 221.9
[M+Na]+ 487.521318 226.2
[M-H]- 463.524824 221.2
[M+NH4]+ 482.565923 229.1
[M+K]+ 503.495258 236.5
[M+H-H2O]+ 447.529360 208.4
[M+HCOO]- 509.530301 239.4
[M+CH3COO]- 523.545951 249.9
[M+Na-2H]- 485.506766 211.8
[M]+ 464.53155142 235.3
[M]- 464.53264858 235.3
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