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]+ 130.08626 126.8
[M+Na]+ 152.06820 132.8
[M-H]- 128.07170 128.9
[M+NH4]+ 147.11280 143.1
[M+K]+ 168.04214 134.6
[M+H-H2O]+ 112.07624 118.0
[M+HCOO]- 174.07718 148.2
[M+CH3COO]- 188.09283 174.1
[M+Na-2H]- 150.05365 132.5
[M]+ 129.07843 132.9
[M]- 129.07953 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.