CID 91647631

1807916-74-0

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 146.3
[M+Na]+ 222.10017 161.0
[M+NH4]+ 217.14477 155.7
[M+K]+ 238.07411 157.0
[M-H]- 198.10367 158.1
[M+Na-2H]- 220.08562 157.9
[M]+ 199.11040 152.8
[M]- 199.11150 152.8
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.