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

360
Patents

126.140854 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.148130 130.0
[M+Na]+ 149.130072 136.2
[M-H]- 125.133578 133.1
[M+NH4]+ 144.174677 154.2
[M+K]+ 165.104012 135.1
[M+H-H2O]+ 109.138114 125.2
[M+HCOO]- 171.139055 152.3
[M+CH3COO]- 185.154705 173.6
[M+Na-2H]- 147.115520 133.3
[M]+ 126.14030542 128.1
[M]- 126.14140258 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