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]+ 168.113146 134.7
[M+Na]+ 190.095088 141.0
[M-H]- 166.098594 136.9
[M+NH4]+ 185.139693 154.5
[M+K]+ 206.069028 138.9
[M+H-H2O]+ 150.103130 127.0
[M+HCOO]- 212.104071 156.2
[M+CH3COO]- 226.119721 175.2
[M+Na-2H]- 188.080536 137.1
[M]+ 167.10532142 129.6
[M]- 167.10641858 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.