CID 72207424

1416323-22-2

Structural Information

Molecular Formula
C5H9NO
SMILES
C1C(CC1=O)CN
InChI
InChI=1S/C5H9NO/c6-3-4-1-5(7)2-4/h4H,1-3,6H2
InChIKey
VITGKTRHMZMIGH-UHFFFAOYSA-N
Compound name
3-(aminomethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

99.06841 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 116.8
[M+Na]+ 122.05763 123.0
[M-H]- 98.061134 120.2
[M+NH4]+ 117.10223 133.2
[M+K]+ 138.03157 125.5
[M+H-H2O]+ 82.065670 106.9
[M+HCOO]- 144.06661 139.9
[M+CH3COO]- 158.08226 172.1
[M+Na-2H]- 120.04308 122.7
[M]+ 99.067861 122.8
[M]- 99.068959 122.8
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