CID 79686403

2-(3,3-dimethylazetidin-1-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(CN(C1)CC(=O)O)C
InChI
InChI=1S/C7H13NO2/c1-7(2)4-8(5-7)3-6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKey
MLZZBHAHQPCMSP-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylazetidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 131.3
[M+Na]+ 166.083858 137.7
[M-H]- 142.087364 132.5
[M+NH4]+ 161.128463 146.5
[M+K]+ 182.057798 140.1
[M+H-H2O]+ 126.091900 122.2
[M+HCOO]- 188.092841 150.0
[M+CH3COO]- 202.108491 176.3
[M+Na-2H]- 164.069306 136.2
[M]+ 143.09409142 139.5
[M]- 143.09518858 139.5
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.