CID 137245234

2307776-49-2

Structural Information

Molecular Formula
C8H14N4O
SMILES
CC1=NNC(=N1)[C@H]2[C@H](CCO2)CN
InChI
InChI=1S/C8H14N4O/c1-5-10-8(12-11-5)7-6(4-9)2-3-13-7/h6-7H,2-4,9H2,1H3,(H,10,11,12)/t6-,7-/m1/s1
InChIKey
NTVMXTHTWWIQBG-RNFRBKRXSA-N
Compound name
[(2R,3R)-2-(3-methyl-1H-1,2,4-triazol-5-yl)oxolan-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.11676 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.12404 139.9
[M+Na]+ 205.10598 147.3
[M-H]- 181.10948 141.7
[M+NH4]+ 200.15058 156.7
[M+K]+ 221.07992 145.7
[M+H-H2O]+ 165.11402 131.8
[M+HCOO]- 227.11496 159.1
[M+CH3COO]- 241.13061 151.9
[M+Na-2H]- 203.09143 141.9
[M]+ 182.11621 136.3
[M]- 182.11731 136.3
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.