CID 13148442

Tert-butyl 5-hydroxypentanoate

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(C)(C)OC(=O)CCCCO
InChI
InChI=1S/C9H18O3/c1-9(2,3)12-8(11)6-4-5-7-10/h10H,4-7H2,1-3H3
InChIKey
VVRUZHFNXIEHKI-UHFFFAOYSA-N
Compound name
tert-butyl 5-hydroxypentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

174.1256 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 141.2
[M+Na]+ 197.11482 147.4
[M-H]- 173.11832 140.0
[M+NH4]+ 192.15942 161.2
[M+K]+ 213.08876 147.2
[M+H-H2O]+ 157.12286 137.0
[M+HCOO]- 219.12380 160.9
[M+CH3COO]- 233.13945 178.4
[M+Na-2H]- 195.10027 145.7
[M]+ 174.12505 144.1
[M]- 174.12615 144.1
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