CID 11063036

Tiglic anhydride

Structural Information

Molecular Formula
C10H14O3
SMILES
C/C=C(/C(=O)OC(=O)/C(=C/C)/C)\C
InChI
InChI=1S/C10H14O3/c1-5-7(3)9(11)13-10(12)8(4)6-2/h5-6H,1-4H3/b7-5+,8-6+
InChIKey
LIHLSLRANKCHLV-KQQUZDAGSA-N
Compound name
[(E)-2-methylbut-2-enoyl] (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

182.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 142.7
[M+Na]+ 205.08352 151.0
[M+NH4]+ 200.12812 148.2
[M+K]+ 221.05746 147.6
[M-H]- 181.08702 139.8
[M+Na-2H]- 203.06897 143.5
[M]+ 182.09375 142.5
[M]- 182.09485 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe