CID 39066

1-butyl-1-methyl-2-propylcyclopropane

Structural Information

Molecular Formula
C11H22
SMILES
CCCCC1(CC1CCC)C
InChI
InChI=1S/C11H22/c1-4-6-8-11(3)9-10(11)7-5-2/h10H,4-9H2,1-3H3
InChIKey
ACUGRDGEWGHXLZ-UHFFFAOYSA-N
Compound name
1-butyl-1-methyl-2-propylcyclopropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3
Patents

154.17215 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.17943 136.9
[M+Na]+ 177.16137 145.6
[M-H]- 153.16487 141.6
[M+NH4]+ 172.20597 155.7
[M+K]+ 193.13531 144.1
[M+H-H2O]+ 137.16941 132.2
[M+HCOO]- 199.17035 159.2
[M+CH3COO]- 213.18600 184.9
[M+Na-2H]- 175.14682 142.6
[M]+ 154.17160 141.9
[M]- 154.17270 141.9
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