CID 64260104

1-(oxan-4-yl)azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
C1COCCC1N2CC(C2)C(=O)O
InChI
InChI=1S/C9H15NO3/c11-9(12)7-5-10(6-7)8-1-3-13-4-2-8/h7-8H,1-6H2,(H,11,12)
InChIKey
MEBCIJXUBXBFEL-UHFFFAOYSA-N
Compound name
1-(oxan-4-yl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

185.1052 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 135.6
[M+Na]+ 208.094418 138.5
[M-H]- 184.097924 139.0
[M+NH4]+ 203.139023 145.1
[M+K]+ 224.068358 141.9
[M+H-H2O]+ 168.102460 123.6
[M+HCOO]- 230.103401 150.3
[M+CH3COO]- 244.119051 181.4
[M+Na-2H]- 206.079866 139.2
[M]+ 185.10465142 139.6
[M]- 185.10574858 139.6
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

patents stripe