CID 22720

3-ethoxypropylamine

Structural Information

Molecular Formula
C5H13NO
SMILES
CCOCCCN
InChI
InChI=1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3
InChIKey
SOYBEXQHNURCGE-UHFFFAOYSA-N
Compound name
3-ethoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

8461
Patents

103.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 120.3
[M+Na]+ 126.08894 130.0
[M+NH4]+ 121.13354 128.7
[M+K]+ 142.06288 124.5
[M-H]- 102.09244 120.6
[M+Na-2H]- 124.07439 124.6
[M]+ 103.09917 121.5
[M]- 103.10027 121.5
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