CID 528988

1-hentriacontene

Structural Information

Molecular Formula
C31H62
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C31H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-31H2,2H3
InChIKey
YITPJHKSILJOFQ-UHFFFAOYSA-N
Compound name
hentriacont-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

156
Patents

434.48514 Da
Monoisotopic Mass

17.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.49242 228.1
[M+Na]+ 457.47436 225.3
[M-H]- 433.47786 223.5
[M+NH4]+ 452.51896 228.7
[M+K]+ 473.44830 217.8
[M+H-H2O]+ 417.48240 219.2
[M+HCOO]- 479.48334 244.2
[M+CH3COO]- 493.49899 241.2
[M+Na-2H]- 455.45981 222.0
[M]+ 434.48459 238.2
[M]- 434.48569 238.2
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