CID 90640

[(4-methoxyphenyl)amino]acetonitrile

Structural Information

Molecular Formula
C9H10N2O
SMILES
COC1=CC=C(C=C1)NCC#N
InChI
InChI=1S/C9H10N2O/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2-5,11H,7H2,1H3
InChIKey
OWNQIZJEBGJLSW-UHFFFAOYSA-N
Compound name
2-(4-methoxyanilino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

162.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 134.2
[M+Na]+ 185.068538 143.6
[M-H]- 161.072044 137.5
[M+NH4]+ 180.113143 152.6
[M+K]+ 201.042478 141.2
[M+H-H2O]+ 145.076580 121.7
[M+HCOO]- 207.077521 156.1
[M+CH3COO]- 221.093171 192.9
[M+Na-2H]- 183.053986 141.3
[M]+ 162.07877142 129.9
[M]- 162.07986858 129.9
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