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

3
Patents

161.1052 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 134.8
[M+Na]+ 184.09442 141.1
[M-H]- 160.09792 137.8
[M+NH4]+ 179.13902 155.5
[M+K]+ 200.06836 142.7
[M+H-H2O]+ 144.10246 130.8
[M+HCOO]- 206.10340 154.3
[M+CH3COO]- 220.11905 175.6
[M+Na-2H]- 182.07987 139.9
[M]+ 161.10465 133.7
[M]- 161.10575 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