CID 132343835

2137914-58-8

Structural Information

Molecular Formula
C10H18O3
SMILES
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1CO
InChI
InChI=1S/C10H18O3/c1-10(2,3)13-9(12)8-5-4-7(8)6-11/h7-8,11H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKey
BNZGNYMPECNOBL-JGVFFNPUSA-N
Compound name
tert-butyl (1R,2R)-2-(hydroxymethyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 142.5
[M+Na]+ 209.11482 147.2
[M-H]- 185.11832 144.6
[M+NH4]+ 204.15942 155.4
[M+K]+ 225.08876 149.8
[M+H-H2O]+ 169.12286 132.9
[M+HCOO]- 231.12380 160.1
[M+CH3COO]- 245.13945 184.0
[M+Na-2H]- 207.10027 145.5
[M]+ 186.12505 151.7
[M]- 186.12615 151.7
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

No patent data available for this compound.