CID 155820116

2028375-31-5

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC(C)(C)C(C(=O)O)N1C=CN=N1
InChI
InChI=1S/C8H13N3O2/c1-8(2,3)6(7(12)13)11-5-4-9-10-11/h4-6H,1-3H3,(H,12,13)
InChIKey
IAQULLZNXWTZHM-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-(triazol-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 141.1
[M+Na]+ 206.089988 148.6
[M-H]- 182.093494 139.7
[M+NH4]+ 201.134593 158.0
[M+K]+ 222.063928 147.9
[M+H-H2O]+ 166.098030 134.1
[M+HCOO]- 228.098971 158.4
[M+CH3COO]- 242.114621 178.5
[M+Na-2H]- 204.075436 145.3
[M]+ 183.10022142 141.3
[M]- 183.10131858 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.