CID 9812890

2-amino-5-butylbenzonitrile

Structural Information

Molecular Formula
C11H14N2
SMILES
CCCCC1=CC(=C(C=C1)N)C#N
InChI
InChI=1S/C11H14N2/c1-2-3-4-9-5-6-11(13)10(7-9)8-12/h5-7H,2-4,13H2,1H3
InChIKey
UYTCHVNBUZZWCW-UHFFFAOYSA-N
Compound name
2-amino-5-butylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

174.11569 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 140.9
[M+Na]+ 197.10491 152.8
[M+NH4]+ 192.14951 146.2
[M+K]+ 213.07885 142.6
[M-H]- 173.10841 136.7
[M+Na-2H]- 195.09036 145.0
[M]+ 174.11514 140.6
[M]- 174.11624 140.6
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.