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

1224
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

literature stripe

Patent stripe

patents stripe