CID 132372785

2307749-47-7

Structural Information

Molecular Formula
C8H14N4O
SMILES
CNC[C@H]1[C@H](CCO1)C2=NC=NN2
InChI
InChI=1S/C8H14N4O/c1-9-4-7-6(2-3-13-7)8-10-5-11-12-8/h5-7,9H,2-4H2,1H3,(H,10,11,12)/t6-,7-/m0/s1
InChIKey
VEBSQSGLZKTWDS-BQBZGAKWSA-N
Compound name
N-methyl-1-[(2R,3R)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.11676 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.12404 138.9
[M+Na]+ 205.10598 145.4
[M-H]- 181.10948 140.8
[M+NH4]+ 200.15058 155.7
[M+K]+ 221.07992 144.3
[M+H-H2O]+ 165.11402 130.4
[M+HCOO]- 227.11496 158.8
[M+CH3COO]- 241.13061 150.8
[M+Na-2H]- 203.09143 142.7
[M]+ 182.11621 136.0
[M]- 182.11731 136.0
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.