CID 550668

2424-00-2

Structural Information

Molecular Formula
C5H11NO
SMILES
C=CCNCCO
InChI
InChI=1S/C5H11NO/c1-2-3-6-4-5-7/h2,6-7H,1,3-5H2
InChIKey
JRMGZDWJZHJQCY-UHFFFAOYSA-N
Compound name
2-(prop-2-enylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

795
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 120.5
[M+Na]+ 124.073278 127.1
[M-H]- 100.076784 119.5
[M+NH4]+ 119.117883 142.8
[M+K]+ 140.047218 126.0
[M+H-H2O]+ 84.081320 116.1
[M+HCOO]- 146.082261 144.5
[M+CH3COO]- 160.097911 167.3
[M+Na-2H]- 122.058726 127.8
[M]+ 101.08351142 119.4
[M]- 101.08460858 119.4
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