CID 428166

Phenylmethanimine

Structural Information

Molecular Formula
C7H7N
SMILES
C1=CC=C(C=C1)C=N
InChI
InChI=1S/C7H7N/c8-6-7-4-2-1-3-5-7/h1-6,8H
InChIKey
AFDMODCXODAXLC-UHFFFAOYSA-N
Compound name
phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

9198
Patents

105.057846 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.065122 117.1
[M+Na]+ 128.047064 124.8
[M-H]- 104.050570 121.0
[M+NH4]+ 123.091669 139.8
[M+K]+ 144.021004 122.8
[M+H-H2O]+ 88.055106 111.8
[M+HCOO]- 150.056047 143.6
[M+CH3COO]- 164.071697 169.2
[M+Na-2H]- 126.032512 126.9
[M]+ 105.05729742 114.8
[M]- 105.05839458 114.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe