CID 64904614

3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-one hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
C1C(=O)CC1(CN)CO
InChI
InChI=1S/C6H11NO2/c7-3-6(4-8)1-5(9)2-6/h8H,1-4,7H2
InChIKey
PMRSOCKNKWBTOM-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.07898 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 126.8
[M+Na]+ 152.068198 132.8
[M-H]- 128.071704 128.9
[M+NH4]+ 147.112803 143.1
[M+K]+ 168.042138 134.6
[M+H-H2O]+ 112.076240 118.0
[M+HCOO]- 174.077181 148.2
[M+CH3COO]- 188.092831 174.1
[M+Na-2H]- 150.053646 132.5
[M]+ 129.07843142 133.0
[M]- 129.07952858 133.0
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

No patent data available for this compound.