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]+ 146.08118 132.9
[M+Na]+ 168.06312 137.8
[M-H]- 144.06662 133.5
[M+NH4]+ 163.10772 147.5
[M+K]+ 184.03706 139.9
[M+H-H2O]+ 128.07116 123.8
[M+HCOO]- 190.07210 151.8
[M+CH3COO]- 204.08775 174.6
[M+Na-2H]- 166.04857 136.4
[M]+ 145.07335 137.8
[M]- 145.07445 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.