CID 79856892

1537286-10-4

Structural Information

Molecular Formula
C9H11ClN2
SMILES
CC1(CCC2=CC(=NN=C21)Cl)C
InChI
InChI=1S/C9H11ClN2/c1-9(2)4-3-6-5-7(10)11-12-8(6)9/h5H,3-4H2,1-2H3
InChIKey
TZIYEYCBBSLOTC-UHFFFAOYSA-N
Compound name
3-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06108 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06836 135.6
[M+Na]+ 205.05030 150.0
[M+NH4]+ 200.09490 146.9
[M+K]+ 221.02424 142.2
[M-H]- 181.05380 137.6
[M+Na-2H]- 203.03575 143.4
[M]+ 182.06053 138.7
[M]- 182.06163 138.7
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.