CID 145915778

2385049-06-7

Structural Information

Molecular Formula
C9H14ClNO2
SMILES
C1CC(C1)N2CC(C2)(CCl)C(=O)O
InChI
InChI=1S/C9H14ClNO2/c10-4-9(8(12)13)5-11(6-9)7-2-1-3-7/h7H,1-6H2,(H,12,13)
InChIKey
PKWRNBIKJNBHRM-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-cyclobutylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0713 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07858 133.2
[M+Na]+ 226.06052 137.9
[M-H]- 202.06402 136.5
[M+NH4]+ 221.10512 139.7
[M+K]+ 242.03446 140.4
[M+H-H2O]+ 186.06856 120.3
[M+HCOO]- 248.06950 144.9
[M+CH3COO]- 262.08515 193.3
[M+Na-2H]- 224.04597 136.8
[M]+ 203.07075 148.8
[M]- 203.07185 148.8
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.