CID 112469

Cyclopentane, 1-butyl-2-propyl-

Structural Information

Molecular Formula
C12H24
SMILES
CCCCC1CCCC1CCC
InChI
InChI=1S/C12H24/c1-3-5-8-12-10-6-9-11(12)7-4-2/h11-12H,3-10H2,1-2H3
InChIKey
WYTQXVUYUANSKO-UHFFFAOYSA-N
Compound name
1-butyl-2-propylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

168.1878 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.19508 143.2
[M+Na]+ 191.17702 153.1
[M+NH4]+ 186.22162 152.5
[M+K]+ 207.15096 147.0
[M-H]- 167.18052 145.3
[M+Na-2H]- 189.16247 147.2
[M]+ 168.18725 145.1
[M]- 168.18835 145.1
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