CID 91692463

Cyclopropane, 1-butyl-2-pentyl-, trans-

Structural Information

Molecular Formula
C12H24
SMILES
CCCCC[C@H]1C[C@@H]1CCCC
InChI
InChI=1S/C12H24/c1-3-5-7-9-12-10-11(12)8-6-4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKey
JATBXZXQOFTTOL-RYUDHWBXSA-N
Compound name
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.