CID 66337006

63191-08-2

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC(C(=O)OC(C)(C)C)N1C=NC=N1
InChI
InChI=1S/C9H15N3O2/c1-7(12-6-10-5-11-12)8(13)14-9(2,3)4/h5-7H,1-4H3
InChIKey
BGGPVPMMLFKGLW-UHFFFAOYSA-N
Compound name
tert-butyl 2-(1,2,4-triazol-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 144.1
[M+Na]+ 220.10564 153.4
[M+NH4]+ 215.15024 149.6
[M+K]+ 236.07958 152.3
[M-H]- 196.10914 141.6
[M+Na-2H]- 218.09109 147.8
[M]+ 197.11587 144.4
[M]- 197.11697 144.4
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.