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
tert-butyl (1R,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

172.10994 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 137.4
[M+Na]+ 195.09916 146.5
[M-H]- 171.10266 141.1
[M+NH4]+ 190.14376 152.9
[M+K]+ 211.07310 144.6
[M+H-H2O]+ 155.10720 132.6
[M+HCOO]- 217.10814 157.6
[M+CH3COO]- 231.12379 181.4
[M+Na-2H]- 193.08461 142.1
[M]+ 172.10939 142.0
[M]- 172.11049 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