CID 20514195

2751614-52-3

Structural Information

Molecular Formula
C4H9NO2
SMILES
C1C(C(C1O)N)O
InChI
InChI=1S/C4H9NO2/c5-4-2(6)1-3(4)7/h2-4,6-7H,1,5H2
InChIKey
XRSPSLMIYRTMHA-UHFFFAOYSA-N
Compound name
2-aminocyclobutane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

103.06333 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 119.2
[M+Na]+ 126.05255 125.3
[M-H]- 102.05605 120.2
[M+NH4]+ 121.09715 134.1
[M+K]+ 142.02649 127.3
[M+H-H2O]+ 86.060590 109.5
[M+HCOO]- 148.06153 139.5
[M+CH3COO]- 162.07718 168.2
[M+Na-2H]- 124.03800 123.5
[M]+ 103.06278 123.4
[M]- 103.06388 123.4
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