CID 65988660

2137723-29-4

Structural Information

Molecular Formula
C6H11NO3
SMILES
C1C(CC1(CN)C(=O)O)O
InChI
InChI=1S/C6H11NO3/c7-3-6(5(9)10)1-4(8)2-6/h4,8H,1-3,7H2,(H,9,10)
InChIKey
QWKPNNFINSRCJX-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-3-hydroxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.0739 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 132.9
[M+Na]+ 168.063118 137.8
[M-H]- 144.066624 133.5
[M+NH4]+ 163.107723 147.5
[M+K]+ 184.037058 139.9
[M+H-H2O]+ 128.071160 123.8
[M+HCOO]- 190.072101 151.8
[M+CH3COO]- 204.087751 174.6
[M+Na-2H]- 166.048566 136.4
[M]+ 145.07335142 137.8
[M]- 145.07444858 137.8
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

No patent data available for this compound.