CID 54706534

Dtxsid30746409

Structural Information

Molecular Formula
C8H14O3
SMILES
C/C(=C/C(=O)OC(C)(C)C)/O
InChI
InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5,9H,1-4H3/b6-5-
InChIKey
VOZHKKAEVAPUTK-WAYWQWQTSA-N
Compound name
tert-butyl (Z)-3-hydroxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

158.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 134.5
[M+Na]+ 181.083518 141.4
[M-H]- 157.087024 133.7
[M+NH4]+ 176.128123 155.1
[M+K]+ 197.057458 141.3
[M+H-H2O]+ 141.091560 130.8
[M+HCOO]- 203.092501 153.9
[M+CH3COO]- 217.108151 174.6
[M+Na-2H]- 179.068966 138.5
[M]+ 158.09375142 135.7
[M]- 158.09484858 135.7
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