CID 20653078

1-methylazetidine-3-carboxylic acid

Structural Information

Molecular Formula
C5H9NO2
SMILES
CN1CC(C1)C(=O)O
InChI
InChI=1S/C5H9NO2/c1-6-2-4(3-6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChIKey
OQTWISXQJKXTEM-UHFFFAOYSA-N
Compound name
1-methylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

453
Patents

115.06333 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 121.1
[M+Na]+ 138.05255 127.4
[M-H]- 114.05605 122.2
[M+NH4]+ 133.09715 135.3
[M+K]+ 154.02649 130.3
[M+H-H2O]+ 98.060590 110.9
[M+HCOO]- 160.06153 140.4
[M+CH3COO]- 174.07718 170.9
[M+Na-2H]- 136.03800 125.9
[M]+ 115.06278 128.2
[M]- 115.06388 128.2
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