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]+ 157.097146 132.5
[M+Na]+ 179.079088 139.6
[M-H]- 155.082594 136.3
[M+NH4]+ 174.123693 153.4
[M+K]+ 195.053028 141.0
[M+H-H2O]+ 139.087130 127.3
[M+HCOO]- 201.088071 152.7
[M+CH3COO]- 215.103721 176.8
[M+Na-2H]- 177.064536 136.8
[M]+ 156.08932142 131.6
[M]- 156.09041858 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.