CID 39870713

3-{1h,4h,5h,6h-cyclopenta[c]pyrazol-3-yl}aniline

Structural Information

Molecular Formula
C12H13N3
SMILES
C1CC2=C(C1)NN=C2C3=CC(=CC=C3)N
InChI
InChI=1S/C12H13N3/c13-9-4-1-3-8(7-9)12-10-5-2-6-11(10)14-15-12/h1,3-4,7H,2,5-6,13H2,(H,14,15)
InChIKey
HHVUPINXUWRDBA-UHFFFAOYSA-N
Compound name
3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.11095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 142.5
[M+Na]+ 222.10017 150.9
[M-H]- 198.10367 146.3
[M+NH4]+ 217.14477 162.5
[M+K]+ 238.07411 146.0
[M+H-H2O]+ 182.10821 135.1
[M+HCOO]- 244.10915 164.0
[M+CH3COO]- 258.12480 155.1
[M+Na-2H]- 220.08562 146.0
[M]+ 199.11040 138.4
[M]- 199.11150 138.4
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.