CID 544711

Cyclopropane, 1-methyl-2-octyl-

Structural Information

Molecular Formula
C12H24
SMILES
CCCCCCCCC1CC1C
InChI
InChI=1S/C12H24/c1-3-4-5-6-7-8-9-12-10-11(12)2/h11-12H,3-10H2,1-2H3
InChIKey
BMCICASJEGCJIS-UHFFFAOYSA-N
Compound name
1-methyl-2-octylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

168.1878 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.195076 141.5
[M+Na]+ 191.177018 149.2
[M-H]- 167.180524 145.6
[M+NH4]+ 186.221623 157.8
[M+K]+ 207.150958 146.5
[M+H-H2O]+ 151.185060 135.3
[M+HCOO]- 213.186001 163.8
[M+CH3COO]- 227.201651 188.2
[M+Na-2H]- 189.162466 145.6
[M]+ 168.18725142 146.5
[M]- 168.18834858 146.5
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