CID 132342246

2137717-80-5

Structural Information

Molecular Formula
C11H18N4O2
SMILES
C1COCC2=NN=C(N21)[C@@H]3C[C@H]([C@H](C3)O)CN
InChI
InChI=1S/C11H18N4O2/c12-5-8-3-7(4-9(8)16)11-14-13-10-6-17-2-1-15(10)11/h7-9,16H,1-6,12H2/t7-,8+,9+/m1/s1
InChIKey
VFHMYZORIOTJNS-VGMNWLOBSA-N
Compound name
(1S,2S,4R)-2-(aminomethyl)-4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14297 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15025 154.0
[M+Na]+ 261.13219 162.5
[M+NH4]+ 256.17679 160.8
[M+K]+ 277.10613 162.4
[M-H]- 237.13569 156.2
[M+Na-2H]- 259.11764 155.7
[M]+ 238.14242 155.4
[M]- 238.14352 155.4
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.