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

42
Patents

182.10553 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 138.3
[M+Na]+ 205.094748 145.7
[M-H]- 181.098254 141.3
[M+NH4]+ 200.139353 157.5
[M+K]+ 221.068688 144.1
[M+H-H2O]+ 165.102790 131.9
[M+HCOO]- 227.103731 164.1
[M+CH3COO]- 241.119381 186.3
[M+Na-2H]- 203.080196 143.5
[M]+ 182.10498142 138.3
[M]- 182.10607858 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