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]+ 198.123696 145.2
[M+Na]+ 220.105638 153.4
[M-H]- 196.109144 145.1
[M+NH4]+ 215.150243 163.0
[M+K]+ 236.079578 151.7
[M+H-H2O]+ 180.113680 138.9
[M+HCOO]- 242.114621 164.8
[M+CH3COO]- 256.130271 184.5
[M+Na-2H]- 218.091086 148.1
[M]+ 197.11587142 144.8
[M]- 197.11696858 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.