CID 100664503

1807895-90-4

Structural Information

Molecular Formula
C8H14N4O2
SMILES
CO[C@@H]1COC[C@H]1N2C=C(N=N2)CN
InChI
InChI=1S/C8H14N4O2/c1-13-8-5-14-4-7(8)12-3-6(2-9)10-11-12/h3,7-8H,2,4-5,9H2,1H3/t7-,8-/m1/s1
InChIKey
DIFOQOVHIIKTLT-HTQZYQBOSA-N
Compound name
[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11168 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11896 141.6
[M+Na]+ 221.10090 149.3
[M-H]- 197.10440 144.8
[M+NH4]+ 216.14550 158.4
[M+K]+ 237.07484 149.1
[M+H-H2O]+ 181.10894 133.2
[M+HCOO]- 243.10988 162.5
[M+CH3COO]- 257.12553 183.8
[M+Na-2H]- 219.08635 144.2
[M]+ 198.11113 141.3
[M]- 198.11223 141.3
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.