CID 56936156

13-methyl-1-hentriacontene

Structural Information

Molecular Formula
C32H64
SMILES
CCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCC=C
InChI
InChI=1S/C32H64/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-32(3)30-28-26-24-22-15-13-11-9-7-5-2/h5,32H,2,4,6-31H2,1,3H3
InChIKey
NGPWWRXWHSVOEI-UHFFFAOYSA-N
Compound name
13-methylhentriacont-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

448.5008 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.50808 233.9
[M+Na]+ 471.49002 230.4
[M-H]- 447.49352 229.1
[M+NH4]+ 466.53462 233.2
[M+K]+ 487.46396 223.1
[M+H-H2O]+ 431.49806 224.8
[M+HCOO]- 493.49900 244.5
[M+CH3COO]- 507.51465 244.7
[M+Na-2H]- 469.47547 225.8
[M]+ 448.50025 243.6
[M]- 448.50135 243.6
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