CID 521776

13,17-dimethylhentriacontane

Structural Information

Molecular Formula
C33H68
SMILES
CCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCC
InChI
InChI=1S/C33H68/c1-5-7-9-11-13-15-17-18-20-22-24-26-29-33(4)31-27-30-32(3)28-25-23-21-19-16-14-12-10-8-6-2/h32-33H,5-31H2,1-4H3
InChIKey
WRXZZORBTUGCDV-UHFFFAOYSA-N
Compound name
13,17-dimethylhentriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

464.5321 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.53938 241.2
[M+Na]+ 487.52132 236.8
[M-H]- 463.52482 236.3
[M+NH4]+ 482.56592 240.3
[M+K]+ 503.49526 230.3
[M+H-H2O]+ 447.52936 232.0
[M+HCOO]- 509.53030 246.9
[M+CH3COO]- 523.54595 249.0
[M+Na-2H]- 485.50677 231.3
[M]+ 464.53155 251.4
[M]- 464.53265 251.4
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