CID 136555870

2059950-54-6

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC1C(C(N2C(=CC=N2)N1)C)CCC(=O)O
InChI
InChI=1S/C11H17N3O2/c1-7-9(3-4-11(15)16)8(2)14-10(13-7)5-6-12-14/h5-9,13H,3-4H2,1-2H3,(H,15,16)
InChIKey
CBMOPDGKSHYFHW-UHFFFAOYSA-N
Compound name
3-(5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13208 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 152.4
[M+Na]+ 246.12130 162.1
[M+NH4]+ 241.16590 158.4
[M+K]+ 262.09524 159.5
[M-H]- 222.12480 150.7
[M+Na-2H]- 244.10675 153.6
[M]+ 223.13153 152.8
[M]- 223.13263 152.8
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.