CID 14532

4-ethoxybenzene-1,2-diamine

Structural Information

Molecular Formula
C8H12N2O
SMILES
CCOC1=CC(=C(C=C1)N)N
InChI
InChI=1S/C8H12N2O/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5H,2,9-10H2,1H3
InChIKey
KLLREYQZEOLXHA-UHFFFAOYSA-N
Compound name
4-ethoxybenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

136
Patents

152.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 130.9
[M+Na]+ 175.08418 138.9
[M-H]- 151.08768 134.2
[M+NH4]+ 170.12878 151.4
[M+K]+ 191.05812 136.9
[M+H-H2O]+ 135.09222 125.0
[M+HCOO]- 197.09316 156.8
[M+CH3COO]- 211.10881 181.1
[M+Na-2H]- 173.06963 136.6
[M]+ 152.09441 129.1
[M]- 152.09551 129.1
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