CID 61269201

5-amino-2-(cyclopentyloxy)benzonitrile

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CCC(C1)OC2=C(C=C(C=C2)N)C#N
InChI
InChI=1S/C12H14N2O/c13-8-9-7-10(14)5-6-12(9)15-11-3-1-2-4-11/h5-7,11H,1-4,14H2
InChIKey
GZPMPQMTTUODKA-UHFFFAOYSA-N
Compound name
5-amino-2-cyclopentyloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

202.11061 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 147.3
[M+Na]+ 225.099828 156.3
[M-H]- 201.103334 152.3
[M+NH4]+ 220.144433 165.5
[M+K]+ 241.073768 151.4
[M+H-H2O]+ 185.107870 134.2
[M+HCOO]- 247.108811 167.2
[M+CH3COO]- 261.124461 198.0
[M+Na-2H]- 223.085276 149.7
[M]+ 202.11006142 139.3
[M]- 202.11115858 139.3
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

patents stripe