CID 5363340

(z)-pentacos-12-ene

Structural Information

Molecular Formula
C25H50
SMILES
CCCCCCCCCCCC/C=C\CCCCCCCCCCC
InChI
InChI=1S/C25H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h23,25H,3-22,24H2,1-2H3/b25-23-
InChIKey
BVGNABNQQZPWPX-BZZOAKBMSA-N
Compound name
(Z)-pentacos-12-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

350.39127 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.398546 202.8
[M+Na]+ 373.380488 202.5
[M-H]- 349.383994 199.5
[M+NH4]+ 368.425093 216.3
[M+K]+ 389.354428 196.7
[M+H-H2O]+ 333.388530 195.0
[M+HCOO]- 395.389471 220.5
[M+CH3COO]- 409.405121 223.0
[M+Na-2H]- 371.365936 199.8
[M]+ 350.39072142 210.6
[M]- 350.39181858 210.6
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