CID 6430461

9-methylheptatriacontane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.