CID 132353733

2138551-02-5

Structural Information

Molecular Formula
C7H10BrN3O
SMILES
C1[C@H]([C@H](CO1)N2C=C(C=N2)Br)N
InChI
InChI=1S/C7H10BrN3O/c8-5-1-10-11(2-5)7-4-12-3-6(7)9/h1-2,6-7H,3-4,9H2/t6-,7+/m1/s1
InChIKey
DIGOWYPLHYPFAK-RQJHMYQMSA-N
Compound name
(3S,4R)-4-(4-bromopyrazol-1-yl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.00072 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.00800 151.6
[M+Na]+ 253.98994 152.4
[M+NH4]+ 249.03454 155.7
[M+K]+ 269.96388 156.5
[M-H]- 229.99344 153.0
[M+Na-2H]- 251.97539 152.5
[M]+ 231.00017 150.6
[M]- 231.00127 150.6
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.