CID 111878

2-propoxyethylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1161
Patents

103.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 121.6
[M+Na]+ 126.08894 128.4
[M-H]- 102.09244 121.5
[M+NH4]+ 121.13354 144.4
[M+K]+ 142.06288 128.5
[M+H-H2O]+ 86.096980 117.0
[M+HCOO]- 148.09792 146.4
[M+CH3COO]- 162.11357 170.2
[M+Na-2H]- 124.07439 128.4
[M]+ 103.09917 122.1
[M]- 103.10027 122.1
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

No patent data available for this compound.