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 153.1
[M+Na]+ 246.12130 160.8
[M-H]- 222.12480 150.8
[M+NH4]+ 241.16590 169.2
[M+K]+ 262.09524 157.0
[M+H-H2O]+ 206.12934 145.9
[M+HCOO]- 268.13028 167.3
[M+CH3COO]- 282.14593 186.2
[M+Na-2H]- 244.10675 154.4
[M]+ 223.13153 150.9
[M]- 223.13263 150.9
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.