CID 3018351

72584-59-9

Structural Information

Molecular Formula
C9H14N2O
SMILES
COCCNC1=CC=C(C=C1)N
InChI
InChI=1S/C9H14N2O/c1-12-7-6-11-9-4-2-8(10)3-5-9/h2-5,11H,6-7,10H2,1H3
InChIKey
XCJRRZLPXALCIP-UHFFFAOYSA-N
Compound name
4-N-(2-methoxyethyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6060
Patents

166.11061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 134.9
[M+Na]+ 189.09983 141.4
[M-H]- 165.10333 138.1
[M+NH4]+ 184.14443 154.8
[M+K]+ 205.07377 139.6
[M+H-H2O]+ 149.10787 128.5
[M+HCOO]- 211.10881 161.1
[M+CH3COO]- 225.12446 183.6
[M+Na-2H]- 187.08528 141.9
[M]+ 166.11006 134.1
[M]- 166.11116 134.1
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