CID 276384

56112-89-1

Structural Information

Molecular Formula
C9H12N4
SMILES
C1CC2=C(N(N=C2C1)CCC#N)N
InChI
InChI=1S/C9H12N4/c10-5-2-6-13-9(11)7-3-1-4-8(7)12-13/h1-4,6,11H2
InChIKey
XGKBJTZXDKBXEU-UHFFFAOYSA-N
Compound name
3-(3-amino-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

176.1062 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11348 137.1
[M+Na]+ 199.09542 147.4
[M-H]- 175.09892 137.7
[M+NH4]+ 194.14002 156.4
[M+K]+ 215.06936 143.3
[M+H-H2O]+ 159.10346 123.0
[M+HCOO]- 221.10440 155.6
[M+CH3COO]- 235.12005 148.5
[M+Na-2H]- 197.08087 140.2
[M]+ 176.10565 130.8
[M]- 176.10675 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe