CID 118210

2-methylbutyl formate

Structural Information

Molecular Formula
C6H12O2
SMILES
CCC(C)COC=O
InChI
InChI=1S/C6H12O2/c1-3-6(2)4-8-5-7/h5-6H,3-4H2,1-2H3
InChIKey
DWORILFBIRYUDC-UHFFFAOYSA-N
Compound name
2-methylbutyl formate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1286
Patents

116.08373 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 123.6
[M+Na]+ 139.07295 134.0
[M+NH4]+ 134.11755 131.5
[M+K]+ 155.04689 128.8
[M-H]- 115.07645 122.8
[M+Na-2H]- 137.05840 127.4
[M]+ 116.08318 124.6
[M]- 116.08428 124.6
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

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