CID 91647631

Rac-(1r,2s)-2-(1-phenyl-1h-pyrazol-4-yl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H13N3
SMILES
C1[C@H]([C@@H]1N)C2=CN(N=C2)C3=CC=CC=C3
InChI
InChI=1S/C12H13N3/c13-12-6-11(12)9-7-14-15(8-9)10-4-2-1-3-5-10/h1-5,7-8,11-12H,6,13H2/t11-,12+/m0/s1
InChIKey
HFQNYSSJDMKGOT-NWDGAFQWSA-N
Compound name
(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.11095 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 143.8
[M+Na]+ 222.10017 154.3
[M-H]- 198.10367 151.6
[M+NH4]+ 217.14477 157.0
[M+K]+ 238.07411 149.0
[M+H-H2O]+ 182.10821 135.5
[M+HCOO]- 244.10915 168.1
[M+CH3COO]- 258.12480 156.7
[M+Na-2H]- 220.08562 148.7
[M]+ 199.11040 144.2
[M]- 199.11150 144.2
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.