CID 131592240

2-amino-1-[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-ol

Structural Information

Molecular Formula
C7H15NO3
SMILES
CC1(OC[C@@H](O1)C(CN)O)C
InChI
InChI=1S/C7H15NO3/c1-7(2)10-4-6(11-7)5(9)3-8/h5-6,9H,3-4,8H2,1-2H3/t5?,6-/m1/s1
InChIKey
MKDRHMDHWIBVRH-PRJDIBJQSA-N
Compound name
2-amino-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

161.1052 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.112476 134.8
[M+Na]+ 184.094418 141.1
[M-H]- 160.097924 137.8
[M+NH4]+ 179.139023 155.5
[M+K]+ 200.068358 142.7
[M+H-H2O]+ 144.102460 130.8
[M+HCOO]- 206.103401 154.3
[M+CH3COO]- 220.119051 175.6
[M+Na-2H]- 182.079866 139.9
[M]+ 161.10465142 133.7
[M]- 161.10574858 133.7
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

patents stripe