CID 145901473

2648933-74-6

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CC(C1=NO[C@H]2[C@@H]1COC2)N
InChI
InChI=1S/C7H12N2O2/c1-4(8)7-5-2-10-3-6(5)11-9-7/h4-6H,2-3,8H2,1H3/t4?,5-,6+/m0/s1
InChIKey
RQXBGNOYEZDHKR-DUAGOPDLSA-N
Compound name
1-[(3aS,6aS)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,2]oxazol-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.08987 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 131.6
[M+Na]+ 179.07909 140.2
[M+NH4]+ 174.12369 139.8
[M+K]+ 195.05303 140.7
[M-H]- 155.08259 134.7
[M+Na-2H]- 177.06454 133.2
[M]+ 156.08932 133.4
[M]- 156.09042 133.4
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.