CID 62402023

{1-[(oxolan-2-yl)methyl]-1h-1,2,3-triazol-4-yl}methanol

Structural Information

Molecular Formula
C8H13N3O2
SMILES
C1CC(OC1)CN2C=C(N=N2)CO
InChI
InChI=1S/C8H13N3O2/c12-6-7-4-11(10-9-7)5-8-2-1-3-13-8/h4,8,12H,1-3,5-6H2
InChIKey
JAGMSNFMPZKMNI-UHFFFAOYSA-N
Compound name
[1-(oxolan-2-ylmethyl)triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 138.2
[M+Na]+ 206.08999 145.5
[M-H]- 182.09349 140.1
[M+NH4]+ 201.13459 155.3
[M+K]+ 222.06393 145.0
[M+H-H2O]+ 166.09803 130.2
[M+HCOO]- 228.09897 157.2
[M+CH3COO]- 242.11462 175.9
[M+Na-2H]- 204.07544 141.4
[M]+ 183.10022 137.4
[M]- 183.10132 137.4
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.