CID 22167701

4-(2-(dimethylamino)ethoxy)benzene-1,2-diamine

Structural Information

Molecular Formula
C10H17N3O
SMILES
CN(C)CCOC1=CC(=C(C=C1)N)N
InChI
InChI=1S/C10H17N3O/c1-13(2)5-6-14-8-3-4-9(11)10(12)7-8/h3-4,7H,5-6,11-12H2,1-2H3
InChIKey
FOQMUVRIBLMRNQ-UHFFFAOYSA-N
Compound name
4-[2-(dimethylamino)ethoxy]benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

195.13716 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.14444 144.1
[M+Na]+ 218.12638 150.5
[M-H]- 194.12988 148.4
[M+NH4]+ 213.17098 163.2
[M+K]+ 234.10032 149.5
[M+H-H2O]+ 178.13442 137.1
[M+HCOO]- 240.13536 170.8
[M+CH3COO]- 254.15101 195.8
[M+Na-2H]- 216.11183 148.2
[M]+ 195.13661 143.5
[M]- 195.13771 143.5
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