CID 69332

4-amino-n-methylaniline

Structural Information

Molecular Formula
C7H10N2
SMILES
CNC1=CC=C(C=C1)N
InChI
InChI=1S/C7H10N2/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,8H2,1H3
InChIKey
VVYWUQOTMZEJRJ-UHFFFAOYSA-N
Compound name
4-N-methylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3235
Patents

122.0844 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 122.6
[M+Na]+ 145.07362 130.2
[M-H]- 121.07712 126.3
[M+NH4]+ 140.11822 144.4
[M+K]+ 161.04756 128.3
[M+H-H2O]+ 105.08166 117.0
[M+HCOO]- 167.08260 149.3
[M+CH3COO]- 181.09825 175.4
[M+Na-2H]- 143.05907 130.8
[M]+ 122.08385 119.7
[M]- 122.08495 119.7
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