CID 54249323

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

182.10553 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 138.3
[M+Na]+ 205.09475 145.7
[M-H]- 181.09825 141.3
[M+NH4]+ 200.13935 157.5
[M+K]+ 221.06869 144.1
[M+H-H2O]+ 165.10279 131.9
[M+HCOO]- 227.10373 164.1
[M+CH3COO]- 241.11938 186.3
[M+Na-2H]- 203.08020 143.5
[M]+ 182.10498 138.3
[M]- 182.10608 138.3
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