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]+ 145.097146 128.4
[M+Na]+ 167.079088 136.6
[M-H]- 143.082594 129.8
[M+NH4]+ 162.123693 150.0
[M+K]+ 183.053028 136.1
[M+H-H2O]+ 127.087130 123.8
[M+HCOO]- 189.088071 149.0
[M+CH3COO]- 203.103721 172.3
[M+Na-2H]- 165.064536 133.5
[M]+ 144.08932142 125.7
[M]- 144.09041858 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.