CID 132427842

2138271-87-9

Structural Information

Molecular Formula
C8H13N3O
SMILES
C1C[C@H]([C@H](C1)OC2=CNN=C2)N
InChI
InChI=1S/C8H13N3O/c9-7-2-1-3-8(7)12-6-4-10-11-5-6/h4-5,7-8H,1-3,9H2,(H,10,11)/t7-,8+/m1/s1
InChIKey
AKTFDUGMLOBQFF-SFYZADRCSA-N
Compound name
cis-(1R,2S)-2-(1H-pyrazol-4-yloxy)cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 134.7
[M+Na]+ 190.09509 141.0
[M-H]- 166.09859 136.9
[M+NH4]+ 185.13969 154.5
[M+K]+ 206.06903 138.9
[M+H-H2O]+ 150.10313 127.0
[M+HCOO]- 212.10407 156.2
[M+CH3COO]- 226.11972 175.2
[M+Na-2H]- 188.08054 137.1
[M]+ 167.10532 129.6
[M]- 167.10642 129.6
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.