CID 117007

4-(2-methoxyethoxy)benzene-1,3-diamine

Structural Information

Molecular Formula
C9H14N2O2
SMILES
COCCOC1=C(C=C(C=C1)N)N
InChI
InChI=1S/C9H14N2O2/c1-12-4-5-13-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5,10-11H2,1H3
InChIKey
ZNBTUAAPXSCFBS-UHFFFAOYSA-N
Compound name
4-(2-methoxyethoxy)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

182.10553 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 138.4
[M+Na]+ 205.09475 149.0
[M+NH4]+ 200.13935 146.1
[M+K]+ 221.06869 143.6
[M-H]- 181.09825 141.0
[M+Na-2H]- 203.08020 144.2
[M]+ 182.10498 140.4
[M]- 182.10608 140.4
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