CID 75480811

1-[(3-methyloxetan-3-yl)methyl]-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C8H11N3O3
SMILES
CC1(COC1)CN2C=C(N=N2)C(=O)O
InChI
InChI=1S/C8H11N3O3/c1-8(4-14-5-8)3-11-2-6(7(12)13)9-10-11/h2H,3-5H2,1H3,(H,12,13)
InChIKey
VXCGIIMBIFXTRU-UHFFFAOYSA-N
Compound name
1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

197.08005 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08733 140.5
[M+Na]+ 220.06927 146.2
[M+NH4]+ 215.11387 143.5
[M+K]+ 236.04321 145.2
[M-H]- 196.07277 138.1
[M+Na-2H]- 218.05472 143.3
[M]+ 197.07950 139.2
[M]- 197.08060 139.2
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

patents stripe