CID 6432402

Trans-1-butyl-2-methylcyclopropane

Structural Information

Molecular Formula
C8H16
SMILES
CCCC[C@@H]1C[C@H]1C
InChI
InChI=1S/C8H16/c1-3-4-5-8-6-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey
IWTBNPKBPXCCIV-HTQZYQBOSA-N
Compound name
cis-(1R,2R)-1-butyl-2-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

112.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.132476 124.4
[M+Na]+ 135.114418 133.7
[M-H]- 111.117924 129.3
[M+NH4]+ 130.159023 142.9
[M+K]+ 151.088358 132.1
[M+H-H2O]+ 95.122460 118.9
[M+HCOO]- 157.123401 148.0
[M+CH3COO]- 171.139051 176.6
[M+Na-2H]- 133.099866 130.6
[M]+ 112.12465142 127.9
[M]- 112.12574858 127.9
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.