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]+ 184.108046 138.2
[M+Na]+ 206.089988 145.5
[M-H]- 182.093494 140.1
[M+NH4]+ 201.134593 155.3
[M+K]+ 222.063928 145.0
[M+H-H2O]+ 166.098030 130.2
[M+HCOO]- 228.098971 157.2
[M+CH3COO]- 242.114621 175.9
[M+Na-2H]- 204.075436 141.4
[M]+ 183.10022142 137.4
[M]- 183.10131858 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.