CID 544190

1,2-dimethyl-3-(1-methylethyl)cyclopentane

Structural Information

Molecular Formula
C10H20
SMILES
CC1CCC(C1C)C(C)C
InChI
InChI=1S/C10H20/c1-7(2)10-6-5-8(3)9(10)4/h7-10H,5-6H2,1-4H3
InChIKey
MKEWIKKSNRXXFU-UHFFFAOYSA-N
Compound name
1,2-dimethyl-3-propan-2-ylcyclopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

47
Patents

140.1565 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 133.9
[M+Na]+ 163.145718 140.4
[M-H]- 139.149224 137.4
[M+NH4]+ 158.190323 157.9
[M+K]+ 179.119658 139.5
[M+H-H2O]+ 123.153760 129.4
[M+HCOO]- 185.154701 154.9
[M+CH3COO]- 199.170351 178.5
[M+Na-2H]- 161.131166 134.8
[M]+ 140.15595142 132.1
[M]- 140.15704858 132.1
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