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

6
Patents

162.07932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 135.0
[M+Na]+ 185.068538 144.4
[M-H]- 161.072044 137.8
[M+NH4]+ 180.113143 153.2
[M+K]+ 201.042478 141.7
[M+H-H2O]+ 145.076580 122.6
[M+HCOO]- 207.077521 156.3
[M+CH3COO]- 221.093171 192.3
[M+Na-2H]- 183.053986 141.1
[M]+ 162.07877142 129.8
[M]- 162.07986858 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

patents stripe