CID 145901473

Rac-1-[(3ar,6ar)-3ah,4h,6h,6ah-furo[3,4-d][1,2]oxazol-3-yl]ethan-1-amine hydrochloride

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 132.5
[M+Na]+ 179.07909 139.6
[M-H]- 155.08259 136.3
[M+NH4]+ 174.12369 153.4
[M+K]+ 195.05303 141.0
[M+H-H2O]+ 139.08713 127.3
[M+HCOO]- 201.08807 152.7
[M+CH3COO]- 215.10372 176.8
[M+Na-2H]- 177.06454 136.8
[M]+ 156.08932 131.6
[M]- 156.09042 131.6
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.