CID 549948

1-pentyl-2-propylcyclopentane

Structural Information

Molecular Formula
C13H26
SMILES
CCCCCC1CCCC1CCC
InChI
InChI=1S/C13H26/c1-3-5-6-9-13-11-7-10-12(13)8-4-2/h12-13H,3-11H2,1-2H3
InChIKey
MTKGHPSAELTIFQ-UHFFFAOYSA-N
Compound name
1-pentyl-2-propylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

182.20345 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.210726 148.6
[M+Na]+ 205.192668 153.1
[M-H]- 181.196174 150.9
[M+NH4]+ 200.237273 170.6
[M+K]+ 221.166608 150.9
[M+H-H2O]+ 165.200710 143.0
[M+HCOO]- 227.201651 169.6
[M+CH3COO]- 241.217301 185.7
[M+Na-2H]- 203.178116 149.7
[M]+ 182.20290142 148.1
[M]- 182.20399858 148.1
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

patents stripe