CID 4386396

66415-55-2

Structural Information

Molecular Formula
C5H11NO
SMILES
C=COCCCN
InChI
InChI=1S/C5H11NO/c1-2-7-5-3-4-6/h2H,1,3-6H2
InChIKey
JPVNTYZOJCDQBK-UHFFFAOYSA-N
Compound name
3-ethenoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3648
Patents

101.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 120.2
[M+Na]+ 124.073278 127.2
[M-H]- 100.076784 120.0
[M+NH4]+ 119.117883 142.9
[M+K]+ 140.047218 126.7
[M+H-H2O]+ 84.081320 115.6
[M+HCOO]- 146.082261 145.1
[M+CH3COO]- 160.097911 169.3
[M+Na-2H]- 122.058726 127.0
[M]+ 101.08351142 120.0
[M]- 101.08460858 120.0
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