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

17
Patents

158.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 134.5
[M+Na]+ 181.08352 141.4
[M-H]- 157.08702 133.7
[M+NH4]+ 176.12812 155.1
[M+K]+ 197.05746 141.3
[M+H-H2O]+ 141.09156 130.8
[M+HCOO]- 203.09250 153.9
[M+CH3COO]- 217.10815 174.6
[M+Na-2H]- 179.06897 138.5
[M]+ 158.09375 135.7
[M]- 158.09485 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