CID 14053684

1-n-[2-(morpholin-4-yl)ethyl]benzene-1,2-diamine dihydrochloride

Structural Information

Molecular Formula
C12H19N3O
SMILES
C1COCCN1CCNC2=CC=CC=C2N
InChI
InChI=1S/C12H19N3O/c13-11-3-1-2-4-12(11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10,13H2
InChIKey
VUNFYZZNGWQFHN-UHFFFAOYSA-N
Compound name
2-N-(2-morpholin-4-ylethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

221.15282 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.16010 151.1
[M+Na]+ 244.14204 154.8
[M-H]- 220.14554 155.5
[M+NH4]+ 239.18664 165.5
[M+K]+ 260.11598 152.8
[M+H-H2O]+ 204.15008 142.4
[M+HCOO]- 266.15102 171.3
[M+CH3COO]- 280.16667 192.1
[M+Na-2H]- 242.12749 157.1
[M]+ 221.15227 145.8
[M]- 221.15337 145.8
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