CID 3034434

Einecs 260-754-3

Structural Information

Molecular Formula
C12H18O5
SMILES
CC(COCC(C)OC(=O)C=C)OC(=O)C=C
InChI
InChI=1S/C12H18O5/c1-5-11(13)16-9(3)7-15-8-10(4)17-12(14)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKey
RNJVAUBBYGWVBF-UHFFFAOYSA-N
Compound name
1-(2-prop-2-enoyloxypropoxy)propan-2-yl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

271
Patents

242.11542 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12270 155.0
[M+Na]+ 265.10464 160.1
[M-H]- 241.10814 154.7
[M+NH4]+ 260.14924 172.3
[M+K]+ 281.07858 160.3
[M+H-H2O]+ 225.11268 149.5
[M+HCOO]- 287.11362 175.0
[M+CH3COO]- 301.12927 193.7
[M+Na-2H]- 263.09009 154.3
[M]+ 242.11487 160.4
[M]- 242.11597 160.4
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