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]+ 199.118956 142.1
[M+Na]+ 221.100898 149.4
[M-H]- 197.104404 144.0
[M+NH4]+ 216.145503 158.3
[M+K]+ 237.074838 148.4
[M+H-H2O]+ 181.108940 134.0
[M+HCOO]- 243.109881 161.6
[M+CH3COO]- 257.125531 181.4
[M+Na-2H]- 219.086346 144.3
[M]+ 198.11113142 140.0
[M]- 198.11222858 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.