CID 57478438

1311158-43-6

Structural Information

Molecular Formula
C9H16O3
SMILES
CC(C)(C)OC(=O)C1CC(C1)O
InChI
InChI=1S/C9H16O3/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6-7,10H,4-5H2,1-3H3
InChIKey
TYVLAZGEMLWPQS-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxycyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

172.10994 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 137.7
[M+Na]+ 195.099158 142.8
[M-H]- 171.102664 140.0
[M+NH4]+ 190.143763 151.2
[M+K]+ 211.073098 145.7
[M+H-H2O]+ 155.107200 128.4
[M+HCOO]- 217.108141 155.7
[M+CH3COO]- 231.123791 181.1
[M+Na-2H]- 193.084606 141.2
[M]+ 172.10939142 146.6
[M]- 172.11048858 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe