CID 1481838

3-(2,3-dihydro-1h-inden-5-yl)-1h-pyrazole

Structural Information

Molecular Formula
C12H12N2
SMILES
C1CC2=C(C1)C=C(C=C2)C3=CC=NN3
InChI
InChI=1S/C12H12N2/c1-2-9-4-5-11(8-10(9)3-1)12-6-7-13-14-12/h4-8H,1-3H2,(H,13,14)
InChIKey
PSGVQFVNFATFMX-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1H-inden-5-yl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10005 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10733 140.2
[M+Na]+ 207.08927 153.0
[M+NH4]+ 202.13387 149.8
[M+K]+ 223.06321 149.1
[M-H]- 183.09277 143.4
[M+Na-2H]- 205.07472 147.5
[M]+ 184.09950 142.8
[M]- 184.10060 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.