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

literature stripe

Patent stripe

patents stripe