CID 136376

Butan-2-yl propanoate

Structural Information

Molecular Formula
C7H14O2
SMILES
CCC(C)OC(=O)CC
InChI
InChI=1S/C7H14O2/c1-4-6(3)9-7(8)5-2/h6H,4-5H2,1-3H3
InChIKey
VPSLGSSVPWVZFG-UHFFFAOYSA-N
Compound name
butan-2-yl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1134
Patents

130.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 128.5
[M+Na]+ 153.08860 138.3
[M+NH4]+ 148.13320 136.1
[M+K]+ 169.06254 133.7
[M-H]- 129.09210 127.4
[M+Na-2H]- 151.07405 131.6
[M]+ 130.09883 129.3
[M]- 130.09993 129.3
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