CID 63277332

2-(5-amino-3-tert-butyl-1h-pyrazol-1-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC(C)(C)C1=NN(C(=C1)N)CC(=O)O
InChI
InChI=1S/C9H15N3O2/c1-9(2,3)6-4-7(10)12(11-6)5-8(13)14/h4H,5,10H2,1-3H3,(H,13,14)
InChIKey
YIQOASNZZWAIIF-UHFFFAOYSA-N
Compound name
2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 145.2
[M+Na]+ 220.10564 153.4
[M-H]- 196.10914 145.1
[M+NH4]+ 215.15024 163.0
[M+K]+ 236.07958 151.7
[M+H-H2O]+ 180.11368 138.9
[M+HCOO]- 242.11462 164.8
[M+CH3COO]- 256.13027 184.5
[M+Na-2H]- 218.09109 148.1
[M]+ 197.11587 144.8
[M]- 197.11697 144.8
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.