CID 18356755

2-(2-propynyloxy)ethylamine

Structural Information

Molecular Formula
C5H9NO
SMILES
C#CCOCCN
InChI
InChI=1S/C5H9NO/c1-2-4-7-5-3-6/h1H,3-6H2
InChIKey
MZFRRBQTCNHISM-UHFFFAOYSA-N
Compound name
2-prop-2-ynoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

99.06841 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 117.9
[M+Na]+ 122.05763 127.0
[M-H]- 98.061134 117.3
[M+NH4]+ 117.10223 138.3
[M+K]+ 138.03157 126.1
[M+H-H2O]+ 82.065670 107.5
[M+HCOO]- 144.06661 137.0
[M+CH3COO]- 158.08226 178.0
[M+Na-2H]- 120.04308 124.2
[M]+ 99.067861 112.7
[M]- 99.068959 112.7
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