CID 42607335

1-(3-methylpentadecyl)-3-nonylcyclopentane

Structural Information

Molecular Formula
C30H60
SMILES
CCCCCCCCCCCCC(C)CCC1CCC(C1)CCCCCCCCC
InChI
InChI=1S/C30H60/c1-4-6-8-10-12-13-14-16-17-19-21-28(3)23-24-30-26-25-29(27-30)22-20-18-15-11-9-7-5-2/h28-30H,4-27H2,1-3H3
InChIKey
QIOAXSCBIPZQIO-UHFFFAOYSA-N
Compound name
1-(3-methylpentadecyl)-3-nonylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.4695 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.47678 225.8
[M+Na]+ 443.45872 222.8
[M-H]- 419.46222 224.7
[M+NH4]+ 438.50332 237.8
[M+K]+ 459.43266 216.4
[M+H-H2O]+ 403.46676 216.9
[M+HCOO]- 465.46770 239.8
[M+CH3COO]- 479.48335 236.8
[M+Na-2H]- 441.44417 216.3
[M]+ 420.46895 230.8
[M]- 420.47005 230.8
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.