CID 155487133

85428-59-7

Structural Information

Molecular Formula
C9H16O3
SMILES
CC(C)(C)OC(=O)[C@@H]1C[C@H]1CO
InChI
InChI=1S/C9H16O3/c1-9(2,3)12-8(11)7-4-6(7)5-10/h6-7,10H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKey
SXDALRPHNJJFEI-NKWVEPMBSA-N
Compound name
cis-tert-butyl (1R,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

172.10994 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 137.4
[M+Na]+ 195.099158 146.5
[M-H]- 171.102664 141.1
[M+NH4]+ 190.143763 152.9
[M+K]+ 211.073098 144.6
[M+H-H2O]+ 155.107200 132.6
[M+HCOO]- 217.108141 157.6
[M+CH3COO]- 231.123791 181.4
[M+Na-2H]- 193.084606 142.1
[M]+ 172.10939142 142.0
[M]- 172.11048858 142.0
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