CID 122164507

Rac-(1r,2r,3s)-3-amino-2-(4-methyl-1h-pyrazol-1-yl)cyclobutan-1-ol dihydrochloride

Structural Information

Molecular Formula
C8H13N3O
SMILES
CC1=CN(N=C1)[C@@H]2[C@H](C[C@H]2O)N
InChI
InChI=1S/C8H13N3O/c1-5-3-10-11(4-5)8-6(9)2-7(8)12/h3-4,6-8,12H,2,9H2,1H3/t6-,7+,8+/m0/s1
InChIKey
KDYGKJXNUZDJJP-XLPZGREQSA-N
Compound name
(1R,2R,3S)-3-amino-2-(4-methylpyrazol-1-yl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 135.6
[M+Na]+ 190.09509 142.6
[M-H]- 166.09859 138.4
[M+NH4]+ 185.13969 148.0
[M+K]+ 206.06903 143.2
[M+H-H2O]+ 150.10313 123.4
[M+HCOO]- 212.10407 155.7
[M+CH3COO]- 226.11972 182.4
[M+Na-2H]- 188.08054 138.0
[M]+ 167.10532 141.5
[M]- 167.10642 141.5
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.