CID 171117774

Sarekensane

Structural Information

Molecular Formula
C35H68
SMILES
CCCCCCCCC(C)CCCCCCCCCC1CC1CCCCCCCCC2CC2CC
InChI
InChI=1S/C35H68/c1-4-6-7-8-14-19-24-31(3)25-20-15-10-9-11-16-22-27-34-30-35(34)28-23-18-13-12-17-21-26-33-29-32(33)5-2/h31-35H,4-30H2,1-3H3
InChIKey
XVDBGZDCIBNYLY-UHFFFAOYSA-N
Compound name
1-ethyl-2-[8-[2-(10-methyloctadecyl)cyclopropyl]octyl]cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.5321 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.53938 221.8
[M+Na]+ 511.52132 220.6
[M-H]- 487.52482 225.0
[M+NH4]+ 506.56592 220.7
[M+K]+ 527.49526 214.2
[M+H-H2O]+ 471.52936 212.9
[M+HCOO]- 533.53030 234.4
[M+CH3COO]- 547.54595 253.1
[M+Na-2H]- 509.50677 213.4
[M]+ 488.53155 233.4
[M]- 488.53265 233.4
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.