CID 24700599

4-[1-(ethylamino)ethyl]benzonitrile hydrochloride

Structural Information

Molecular Formula
C11H14N2
SMILES
CCNC(C)C1=CC=C(C=C1)C#N
InChI
InChI=1S/C11H14N2/c1-3-13-9(2)11-6-4-10(8-12)5-7-11/h4-7,9,13H,3H2,1-2H3
InChIKey
GNVDKJXXYXLTHW-UHFFFAOYSA-N
Compound name
4-[1-(ethylamino)ethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

174.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 141.4
[M+Na]+ 197.10491 149.9
[M-H]- 173.10841 144.5
[M+NH4]+ 192.14951 159.4
[M+K]+ 213.07885 146.9
[M+H-H2O]+ 157.11295 128.9
[M+HCOO]- 219.11389 161.6
[M+CH3COO]- 233.12954 197.3
[M+Na-2H]- 195.09036 146.3
[M]+ 174.11514 135.9
[M]- 174.11624 135.9
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