CID 12683637

55265-25-3

Structural Information

Molecular Formula
C4H10ClNO
SMILES
C(COCCCl)N
InChI
InChI=1S/C4H10ClNO/c5-1-3-7-4-2-6/h1-4,6H2
InChIKey
ISOBMFBKAQDILT-UHFFFAOYSA-N
Compound name
2-(2-chloroethoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

123.04509 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05237 122.9
[M+Na]+ 146.03431 130.8
[M-H]- 122.03781 122.7
[M+NH4]+ 141.07891 145.6
[M+K]+ 162.00825 128.9
[M+H-H2O]+ 106.04235 119.3
[M+HCOO]- 168.04329 143.4
[M+CH3COO]- 182.05894 171.1
[M+Na-2H]- 144.01976 129.7
[M]+ 123.04454 124.7
[M]- 123.04564 124.7
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