CID 66014

N-methyleneaniline

Structural Information

Molecular Formula
C7H7N
SMILES
C=NC1=CC=CC=C1
InChI
InChI=1S/C7H7N/c1-8-7-5-3-2-4-6-7/h2-6H,1H2
InChIKey
VULHYRAYXYTONQ-UHFFFAOYSA-N
Compound name
N-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

879
Patents

105.057846 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.065122 116.3
[M+Na]+ 128.047064 124.5
[M-H]- 104.050570 121.7
[M+NH4]+ 123.091669 139.8
[M+K]+ 144.021004 123.5
[M+H-H2O]+ 88.055106 110.8
[M+HCOO]- 150.056047 144.4
[M+CH3COO]- 164.071697 171.9
[M+Na-2H]- 126.032512 126.7
[M]+ 105.05729742 116.0
[M]- 105.05839458 116.0
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