CID 165608289

2792161-51-2

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CC1([C@@H](NC(=O)O1)CN)C
InChI
InChI=1S/C6H12N2O2/c1-6(2)4(3-7)8-5(9)10-6/h4H,3,7H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKey
BQKQOQWBNFEUTB-BYPYZUCNSA-N
Compound name
(4S)-4-(aminomethyl)-5,5-dimethyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.08987 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 128.4
[M+Na]+ 167.07909 136.6
[M-H]- 143.08259 129.8
[M+NH4]+ 162.12369 150.0
[M+K]+ 183.05303 136.1
[M+H-H2O]+ 127.08713 123.8
[M+HCOO]- 189.08807 149.0
[M+CH3COO]- 203.10372 172.3
[M+Na-2H]- 165.06454 133.5
[M]+ 144.08932 125.7
[M]- 144.09042 125.7
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

No patent data available for this compound.