CID 524648

1-methyl-2-(3-methylpentyl)cyclopropane

Structural Information

Molecular Formula
C10H20
SMILES
CCC(C)CCC1CC1C
InChI
InChI=1S/C10H20/c1-4-8(2)5-6-10-7-9(10)3/h8-10H,4-7H2,1-3H3
InChIKey
YAIRHJNLKNFVTM-UHFFFAOYSA-N
Compound name
1-methyl-2-(3-methylpentyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

140.1565 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 132.5
[M+Na]+ 163.145718 140.8
[M-H]- 139.149224 137.1
[M+NH4]+ 158.190323 149.9
[M+K]+ 179.119658 139.0
[M+H-H2O]+ 123.153760 126.8
[M+HCOO]- 185.154701 154.6
[M+CH3COO]- 199.170351 183.2
[M+Na-2H]- 161.131166 136.6
[M]+ 140.15595142 136.2
[M]- 140.15704858 136.2
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

patents stripe