CID 10013034

Tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate

Structural Information

Molecular Formula
C11H20O3
SMILES
CC(C)(C)OC(=O)C1(CCCC1)CO
InChI
InChI=1S/C11H20O3/c1-10(2,3)14-9(13)11(8-12)6-4-5-7-11/h12H,4-8H2,1-3H3
InChIKey
WERJMFAMAFYNBN-UHFFFAOYSA-N
Compound name
tert-butyl 1-(hydroxymethyl)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

200.14125 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.148526 148.0
[M+Na]+ 223.130468 153.4
[M-H]- 199.133974 149.7
[M+NH4]+ 218.175073 170.3
[M+K]+ 239.104408 152.7
[M+H-H2O]+ 183.138510 144.3
[M+HCOO]- 245.139451 166.5
[M+CH3COO]- 259.155101 180.1
[M+Na-2H]- 221.115916 151.5
[M]+ 200.14070142 147.3
[M]- 200.14179858 147.3
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