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
2
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 144.0
[M+Na]+ 191.17702 148.9
[M-H]- 167.18052 146.5
[M+NH4]+ 186.22162 166.5
[M+K]+ 207.15096 147.0
[M+H-H2O]+ 151.18506 138.5
[M+HCOO]- 213.18600 165.3
[M+CH3COO]- 227.20165 182.7
[M+Na-2H]- 189.16247 145.6
[M]+ 168.18725 143.1
[M]- 168.18835 143.1
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

No patent data available for this compound.