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

literature stripe

Patent stripe

patents stripe