CID 521782

13-methylheptatriacontane

Structural Information

Molecular Formula
C38H78
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCC
InChI
InChI=1S/C38H78/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-38(3)36-34-32-30-28-15-13-11-9-7-5-2/h38H,4-37H2,1-3H3
InChIKey
XBGZSXCXMVDZHG-UHFFFAOYSA-N
Compound name
13-methylheptatriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

534.61035 Da
Monoisotopic Mass

20.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.61763 260.5
[M+Na]+ 557.59957 265.9
[M-H]- 533.60307 237.8
[M+NH4]+ 552.64417 256.9
[M+K]+ 573.57351 268.5
[M+H-H2O]+ 517.60761 259.2
[M+HCOO]- 579.60855 265.7
[M+CH3COO]- 593.62420 262.4
[M+Na-2H]- 555.58502 243.3
[M]+ 534.60980 261.5
[M]- 534.61090 261.5
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