CID 26087948

Tert-butyl 4-hydroxybutanoate

Structural Information

Molecular Formula
C8H16O3
SMILES
CC(C)(C)OC(=O)CCCO
InChI
InChI=1S/C8H16O3/c1-8(2,3)11-7(10)5-4-6-9/h9H,4-6H2,1-3H3
InChIKey
RXGFTUPFXKYRMW-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

575
Patents

160.10994 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 136.5
[M+Na]+ 183.09916 143.1
[M-H]- 159.10266 135.5
[M+NH4]+ 178.14376 157.0
[M+K]+ 199.07310 143.2
[M+H-H2O]+ 143.10720 132.5
[M+HCOO]- 205.10814 156.6
[M+CH3COO]- 219.12379 175.3
[M+Na-2H]- 181.08461 141.5
[M]+ 160.10939 139.0
[M]- 160.11049 139.0
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