CID 68532073

2241130-68-5

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC1(CCN1)C(=O)O
InChI
InChI=1S/C5H9NO2/c1-5(4(7)8)2-3-6-5/h6H,2-3H2,1H3,(H,7,8)
InChIKey
ADTSDDJGGMQTIE-UHFFFAOYSA-N
Compound name
2-methylazetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

115.06333 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 124.6
[M+Na]+ 138.05255 129.5
[M+NH4]+ 133.09715 129.0
[M+K]+ 154.02649 126.0
[M-H]- 114.05605 120.7
[M+Na-2H]- 136.03800 127.0
[M]+ 115.06278 122.8
[M]- 115.06388 122.8
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