CID 43754768

2-[3-(aminomethyl)phenoxy]acetonitrile hydrochloride

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1=CC(=CC(=C1)OCC#N)CN
InChI
InChI=1S/C9H10N2O/c10-4-5-12-9-3-1-2-8(6-9)7-11/h1-3,6H,5,7,11H2
InChIKey
FUULSSNQYAQVTR-UHFFFAOYSA-N
Compound name
2-[3-(aminomethyl)phenoxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

162.07932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 135.0
[M+Na]+ 185.06854 144.4
[M-H]- 161.07204 137.8
[M+NH4]+ 180.11314 153.2
[M+K]+ 201.04248 141.7
[M+H-H2O]+ 145.07658 122.6
[M+HCOO]- 207.07752 156.3
[M+CH3COO]- 221.09317 192.3
[M+Na-2H]- 183.05399 141.1
[M]+ 162.07877 129.8
[M]- 162.07987 129.8
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.