CID 4518444

4-methoxy-1-n-methylbenzene-1,2-diamine

Structural Information

Molecular Formula
C8H12N2O
SMILES
CNC1=C(C=C(C=C1)OC)N
InChI
InChI=1S/C8H12N2O/c1-10-8-4-3-6(11-2)5-7(8)9/h3-5,10H,9H2,1-2H3
InChIKey
LJGJDFAHHABYEF-UHFFFAOYSA-N
Compound name
4-methoxy-1-N-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

152.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 130.4
[M+Na]+ 175.08418 138.4
[M-H]- 151.08768 134.2
[M+NH4]+ 170.12878 151.2
[M+K]+ 191.05812 136.8
[M+H-H2O]+ 135.09222 124.5
[M+HCOO]- 197.09316 156.9
[M+CH3COO]- 211.10881 181.7
[M+Na-2H]- 173.06963 137.2
[M]+ 152.09441 129.6
[M]- 152.09551 129.6
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