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

441
Patents

115.06333 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.1
[M+Na]+ 138.052548 127.4
[M-H]- 114.056054 122.2
[M+NH4]+ 133.097153 135.3
[M+K]+ 154.026488 130.3
[M+H-H2O]+ 98.060590 110.9
[M+HCOO]- 160.061531 140.4
[M+CH3COO]- 174.077181 170.9
[M+Na-2H]- 136.037996 125.9
[M]+ 115.06278142 128.2
[M]- 115.06387858 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