CID 3015483

29721-79-7

Structural Information

Molecular Formula
C8H14O3
SMILES
CCCC(O)OC(=O)C(=C)C
InChI
InChI=1S/C8H14O3/c1-4-5-7(9)11-8(10)6(2)3/h7,9H,2,4-5H2,1,3H3
InChIKey
QNMHRRCVEGQTPS-UHFFFAOYSA-N
Compound name
1-hydroxybutyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15798
Patents

158.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 135.4
[M+Na]+ 181.08352 141.4
[M-H]- 157.08702 134.3
[M+NH4]+ 176.12812 155.6
[M+K]+ 197.05746 141.4
[M+H-H2O]+ 141.09156 131.0
[M+HCOO]- 203.09250 155.3
[M+CH3COO]- 217.10815 176.6
[M+Na-2H]- 179.06897 137.2
[M]+ 158.09375 136.5
[M]- 158.09485 136.5
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

No patent data available for this compound.