CID 22091719

1-(1-aminocyclopropyl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C5H9NO
SMILES
CC(=O)C1(CC1)N
InChI
InChI=1S/C5H9NO/c1-4(7)5(6)2-3-5/h2-3,6H2,1H3
InChIKey
OJYPFFICWKFUSF-UHFFFAOYSA-N
Compound name
1-(1-aminocyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

99.06841 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 118.5
[M+Na]+ 122.057628 128.0
[M-H]- 98.061134 123.4
[M+NH4]+ 117.102233 138.2
[M+K]+ 138.031568 127.3
[M+H-H2O]+ 82.065670 114.4
[M+HCOO]- 144.066611 142.5
[M+CH3COO]- 158.082261 171.9
[M+Na-2H]- 120.043076 125.8
[M]+ 99.06786142 119.5
[M]- 99.06895858 119.5
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

patents stripe