CID 68006213

1268842-81-4

Structural Information

Molecular Formula
C9H16O3
SMILES
CC(C)(C)OC(=O)C1(CC1)CO
InChI
InChI=1S/C9H16O3/c1-8(2,3)12-7(11)9(6-10)4-5-9/h10H,4-6H2,1-3H3
InChIKey
NWNFJDMTURMKCB-UHFFFAOYSA-N
Compound name
tert-butyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

172.10994 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 138.8
[M+Na]+ 195.099158 147.6
[M-H]- 171.102664 142.4
[M+NH4]+ 190.143763 155.9
[M+K]+ 211.073098 146.7
[M+H-H2O]+ 155.107200 135.1
[M+HCOO]- 217.108141 158.6
[M+CH3COO]- 231.123791 179.9
[M+Na-2H]- 193.084606 145.2
[M]+ 172.10939142 143.4
[M]- 172.11048858 143.4
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