CID 96850208

2460740-36-5

Structural Information

Molecular Formula
C7H12N4O
SMILES
C[C@@H](C1=NN=C2N1CCOC2)N
InChI
InChI=1S/C7H12N4O/c1-5(8)7-10-9-6-4-12-3-2-11(6)7/h5H,2-4,8H2,1H3/t5-/m0/s1
InChIKey
ZLWFUFHHGBGKJF-YFKPBYRVSA-N
Compound name
(1S)-1-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1011 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 135.1
[M+Na]+ 191.09032 145.3
[M+NH4]+ 186.13492 142.5
[M+K]+ 207.06426 143.1
[M-H]- 167.09382 136.5
[M+Na-2H]- 189.07577 138.4
[M]+ 168.10055 136.6
[M]- 168.10165 136.6
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.