CID 316554

1-methyl-2-propyl-cyclopentane

Structural Information

Molecular Formula
C9H18
SMILES
CCCC1CCCC1C
InChI
InChI=1S/C9H18/c1-3-5-9-7-4-6-8(9)2/h8-9H,3-7H2,1-2H3
InChIKey
ADQJFBQXLAAVQA-UHFFFAOYSA-N
Compound name
1-methyl-2-propylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

126.140854 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.14813 130.0
[M+Na]+ 149.13007 136.2
[M-H]- 125.13358 133.1
[M+NH4]+ 144.17468 154.2
[M+K]+ 165.10401 135.1
[M+H-H2O]+ 109.13811 125.2
[M+HCOO]- 171.13906 152.3
[M+CH3COO]- 185.15470 173.6
[M+Na-2H]- 147.11552 133.3
[M]+ 126.14031 128.1
[M]- 126.14140 128.1
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