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

3
Patents

202.11061 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 147.3
[M+Na]+ 225.09983 156.3
[M-H]- 201.10333 152.3
[M+NH4]+ 220.14443 165.5
[M+K]+ 241.07377 151.4
[M+H-H2O]+ 185.10787 134.2
[M+HCOO]- 247.10881 167.2
[M+CH3COO]- 261.12446 198.0
[M+Na-2H]- 223.08528 149.7
[M]+ 202.11006 139.3
[M]- 202.11116 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