CID 80006554

1526342-93-7

Structural Information

Molecular Formula
C7H12N4O
SMILES
C1CC(OC1CN)C2=NC=NN2
InChI
InChI=1S/C7H12N4O/c8-3-5-1-2-6(12-5)7-9-4-10-11-7/h4-6H,1-3,8H2,(H,9,10,11)
InChIKey
FJSJWRCPRRPRTC-UHFFFAOYSA-N
Compound name
[5-(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

168.1011 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 134.6
[M+Na]+ 191.09032 141.5
[M-H]- 167.09382 136.2
[M+NH4]+ 186.13492 151.7
[M+K]+ 207.06426 140.3
[M+H-H2O]+ 151.09836 126.3
[M+HCOO]- 213.09930 154.2
[M+CH3COO]- 227.11495 146.7
[M+Na-2H]- 189.07577 137.9
[M]+ 168.10055 130.4
[M]- 168.10165 130.4
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.