CID 135392497

2839128-58-2

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1C(CC1(CN)O)O
InChI
InChI=1S/C5H11NO2/c6-3-5(8)1-4(7)2-5/h4,7-8H,1-3,6H2
InChIKey
AYECOYSQBRMCIH-UHFFFAOYSA-N
Compound name
1-(aminomethyl)cyclobutane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

117.07898 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 125.0
[M+Na]+ 140.06820 130.7
[M-H]- 116.07170 125.9
[M+NH4]+ 135.11280 141.1
[M+K]+ 156.04214 132.5
[M+H-H2O]+ 100.07624 116.4
[M+HCOO]- 162.07718 145.0
[M+CH3COO]- 176.09283 169.6
[M+Na-2H]- 138.05365 130.6
[M]+ 117.07843 129.6
[M]- 117.07953 129.6
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.