CID 50988979

4-(dimethyl-4h-1,2,4-triazol-3-yl)butanoic acid

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC1=NN=C(N1C)CCCC(=O)O
InChI
InChI=1S/C8H13N3O2/c1-6-9-10-7(11(6)2)4-3-5-8(12)13/h3-5H2,1-2H3,(H,12,13)
InChIKey
RMTZZBQMYWPVQV-UHFFFAOYSA-N
Compound name
4-(4,5-dimethyl-1,2,4-triazol-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 140.9
[M+Na]+ 206.08999 151.2
[M+NH4]+ 201.13459 146.4
[M+K]+ 222.06393 148.9
[M-H]- 182.09349 138.8
[M+Na-2H]- 204.07544 144.0
[M]+ 183.10022 141.3
[M]- 183.10132 141.3
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.