CID 521781

15,19-dimethylpentatriacontane

Structural Information

Molecular Formula
C37H76
SMILES
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCC
InChI
InChI=1S/C37H76/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-33-37(4)35-31-34-36(3)32-29-27-25-23-21-18-16-14-12-10-8-6-2/h36-37H,5-35H2,1-4H3
InChIKey
XDMQCULQPXRKOB-UHFFFAOYSA-N
Compound name
15,19-dimethylpentatriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

520.5947 Da
Monoisotopic Mass

19.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.60198 256.1
[M+Na]+ 543.58392 262.3
[M-H]- 519.58742 235.5
[M+NH4]+ 538.62852 254.2
[M+K]+ 559.55786 265.0
[M+H-H2O]+ 503.59196 248.1
[M+HCOO]- 565.59290 259.5
[M+CH3COO]- 579.60855 260.3
[M+Na-2H]- 541.56937 240.1
[M]+ 520.59415 257.3
[M]- 520.59525 257.3
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