CID 215

1-aminopropan-2-one

Structural Information

Molecular Formula
C3H7NO
SMILES
CC(=O)CN
InChI
InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3
InChIKey
BCDGQXUMWHRQCB-UHFFFAOYSA-N
Compound name
1-aminopropan-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

99
References

4653
Patents

73.052765 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 74.060041 111.5
[M+Na]+ 96.041983 121.3
[M+NH4]+ 91.086588 119.8
[M+K]+ 112.01592 117.0
[M-H]- 72.045489 111.4
[M+Na-2H]- 94.027431 115.7
[M]+ 73.052216 112.5
[M]- 73.053314 112.5
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