CID 137943205

2287286-73-9

Structural Information

Molecular Formula
C7H13NO3
SMILES
C1C(COC1CN)CC(=O)O
InChI
InChI=1S/C7H13NO3/c8-3-6-1-5(4-11-6)2-7(9)10/h5-6H,1-4,8H2,(H,9,10)
InChIKey
GVPBPGUPXLOORE-UHFFFAOYSA-N
Compound name
2-[5-(aminomethyl)oxolan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 134.3
[M+Na]+ 182.07876 139.8
[M-H]- 158.08226 136.3
[M+NH4]+ 177.12336 154.1
[M+K]+ 198.05270 139.8
[M+H-H2O]+ 142.08680 129.0
[M+HCOO]- 204.08774 154.9
[M+CH3COO]- 218.10339 174.9
[M+Na-2H]- 180.06421 137.1
[M]+ 159.08899 131.4
[M]- 159.09009 131.4
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

No patent data available for this compound.