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
2
Annotation Hits

0
References

8
Patents

464.5321 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.53938 221.9
[M+Na]+ 487.52132 226.2
[M-H]- 463.52482 221.2
[M+NH4]+ 482.56592 229.1
[M+K]+ 503.49526 236.5
[M+H-H2O]+ 447.52936 208.4
[M+HCOO]- 509.53030 239.4
[M+CH3COO]- 523.54595 249.9
[M+Na-2H]- 485.50677 211.8
[M]+ 464.53155 235.3
[M]- 464.53265 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