CID 138008239

2243505-97-5

Structural Information

Molecular Formula
C8H14N4O2
SMILES
C1[C@H]([C@@H](CO1)N2C=C(N=N2)CO)CN
InChI
InChI=1S/C8H14N4O2/c9-1-6-4-14-5-8(6)12-2-7(3-13)10-11-12/h2,6,8,13H,1,3-5,9H2/t6-,8-/m1/s1
InChIKey
BHNAGQZBFBLTLF-HTRCEHHLSA-N
Compound name
[1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11168 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11896 142.1
[M+Na]+ 221.10090 149.4
[M-H]- 197.10440 144.0
[M+NH4]+ 216.14550 158.3
[M+K]+ 237.07484 148.4
[M+H-H2O]+ 181.10894 134.0
[M+HCOO]- 243.10988 161.6
[M+CH3COO]- 257.12553 181.4
[M+Na-2H]- 219.08635 144.3
[M]+ 198.11113 140.0
[M]- 198.11223 140.0
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.