CID 12198276

5-methoxy-n1-methylbenzene-1,2-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

152.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 130.4
[M+Na]+ 175.084178 138.4
[M-H]- 151.087684 134.2
[M+NH4]+ 170.128783 151.2
[M+K]+ 191.058118 136.8
[M+H-H2O]+ 135.092220 124.5
[M+HCOO]- 197.093161 156.9
[M+CH3COO]- 211.108811 181.7
[M+Na-2H]- 173.069626 137.2
[M]+ 152.09441142 129.6
[M]- 152.09550858 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

No literature data available for this compound.

Patent stripe

patents stripe