CID 70522770

2-(2-methylazetidin-2-yl)acetic acid

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC1(CCN1)CC(=O)O
InChI
InChI=1S/C6H11NO2/c1-6(2-3-7-6)4-5(8)9/h7H,2-4H2,1H3,(H,8,9)
InChIKey
RQTWJKPILUJGHX-UHFFFAOYSA-N
Compound name
2-(2-methylazetidin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

129.07898 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 129.2
[M+Na]+ 152.068198 134.6
[M-H]- 128.071704 128.8
[M+NH4]+ 147.112803 143.8
[M+K]+ 168.042138 136.4
[M+H-H2O]+ 112.076240 120.0
[M+HCOO]- 174.077181 146.6
[M+CH3COO]- 188.092831 169.8
[M+Na-2H]- 150.053646 134.5
[M]+ 129.07843142 134.8
[M]- 129.07952858 134.8
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

patents stripe