CID 96332

2-ethylbutyric anhydride

Structural Information

Molecular Formula
C12H22O3
SMILES
CCC(CC)C(=O)OC(=O)C(CC)CC
InChI
InChI=1S/C12H22O3/c1-5-9(6-2)11(13)15-12(14)10(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKey
YCURDTPXHPXCKH-UHFFFAOYSA-N
Compound name
2-ethylbutanoyl 2-ethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

599
Patents

214.15689 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.16417 153.3
[M+Na]+ 237.14611 158.0
[M-H]- 213.14961 153.0
[M+NH4]+ 232.19071 172.0
[M+K]+ 253.12005 158.3
[M+H-H2O]+ 197.15415 148.1
[M+HCOO]- 259.15509 172.4
[M+CH3COO]- 273.17074 191.5
[M+Na-2H]- 235.13156 152.3
[M]+ 214.15634 157.2
[M]- 214.15744 157.2
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