CID 152939

27841-33-4

Structural Information

Molecular Formula
C8H12N2O2
SMILES
COC1=C(C=C(C(=C1)N)N)OC
InChI
InChI=1S/C8H12N2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,9-10H2,1-2H3
InChIKey
SKIUVOVOIJBJPN-UHFFFAOYSA-N
Compound name
4,5-dimethoxybenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

701
Patents

168.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 133.8
[M+Na]+ 191.07909 142.7
[M-H]- 167.08259 137.5
[M+NH4]+ 186.12369 154.0
[M+K]+ 207.05303 141.3
[M+H-H2O]+ 151.08713 127.9
[M+HCOO]- 213.08807 159.9
[M+CH3COO]- 227.10372 184.5
[M+Na-2H]- 189.06454 138.8
[M]+ 168.08932 133.9
[M]- 168.09042 133.9
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