CID 22478091

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

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC1=CC(=C(C=C1OC)N)N
InChI
InChI=1S/C8H12N2O/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,9-10H2,1-2H3
InChIKey
CVHJSFQVNCVUQP-UHFFFAOYSA-N
Compound name
4-methoxy-5-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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

No literature data available for this compound.

Patent stripe

patents stripe