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

28
Patents

99.06841 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 118.5
[M+Na]+ 122.05763 128.0
[M-H]- 98.061134 123.4
[M+NH4]+ 117.10223 138.2
[M+K]+ 138.03157 127.3
[M+H-H2O]+ 82.065670 114.4
[M+HCOO]- 144.06661 142.5
[M+CH3COO]- 158.08226 171.9
[M+Na-2H]- 120.04308 125.8
[M]+ 99.067861 119.5
[M]- 99.068959 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