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 143.8
[M+Na]+ 253.98994 155.3
[M-H]- 229.99344 151.0
[M+NH4]+ 249.03454 164.5
[M+K]+ 269.96388 146.2
[M+H-H2O]+ 213.99798 142.6
[M+HCOO]- 275.99892 164.0
[M+CH3COO]- 290.01457 158.7
[M+Na-2H]- 251.97539 148.1
[M]+ 231.00017 159.9
[M]- 231.00127 159.9
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.