CID 95798

4-methoxytoluene-2,5-diamine hcl

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1469
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 130.6
[M+Na]+ 175.08418 142.3
[M+NH4]+ 170.12878 139.1
[M+K]+ 191.05812 136.8
[M-H]- 151.08768 133.8
[M+Na-2H]- 173.06963 136.9
[M]+ 152.09441 133.0
[M]- 152.09551 133.0
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

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