CID 86932

Butane, 1-(2-methylpropoxy)-

Structural Information

Molecular Formula
C8H18O
SMILES
CCCCOCC(C)C
InChI
InChI=1S/C8H18O/c1-4-5-6-9-7-8(2)3/h8H,4-7H2,1-3H3
InChIKey
VDHBXQMYKGNZRP-UHFFFAOYSA-N
Compound name
1-(2-methylpropoxy)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1801
Patents

130.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.14305 131.4
[M+Na]+ 153.12499 137.6
[M-H]- 129.12849 131.5
[M+NH4]+ 148.16959 153.8
[M+K]+ 169.09893 137.9
[M+H-H2O]+ 113.13303 126.8
[M+HCOO]- 175.13397 153.8
[M+CH3COO]- 189.14962 176.2
[M+Na-2H]- 151.11044 136.3
[M]+ 130.13522 134.3
[M]- 130.13632 134.3
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