CID 592454

4-methoxy-3-methylbenzene-1,2-diamine

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC1=C(C=CC(=C1N)N)OC
InChI
InChI=1S/C8H12N2O/c1-5-7(11-2)4-3-6(9)8(5)10/h3-4H,9-10H2,1-2H3
InChIKey
FKPFTMDBQWVKQV-UHFFFAOYSA-N
Compound name
4-methoxy-3-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

152.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 130.9
[M+Na]+ 175.08418 139.9
[M-H]- 151.08768 134.6
[M+NH4]+ 170.12878 151.8
[M+K]+ 191.05812 138.0
[M+H-H2O]+ 135.09222 125.3
[M+HCOO]- 197.09316 156.8
[M+CH3COO]- 211.10881 182.3
[M+Na-2H]- 173.06963 135.9
[M]+ 152.09441 129.5
[M]- 152.09551 129.5
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