CID 13631101

130677-07-5

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1CN(C1=O)CC(=O)O
InChI
InChI=1S/C5H7NO3/c7-4-1-2-6(4)3-5(8)9/h1-3H2,(H,8,9)
InChIKey
RZRRJTZLVKZGRN-UHFFFAOYSA-N
Compound name
2-(2-oxoazetidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

156
Patents

129.04259 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 122.2
[M+Na]+ 152.03181 128.6
[M-H]- 128.03531 123.2
[M+NH4]+ 147.07641 135.6
[M+K]+ 168.00575 131.3
[M+H-H2O]+ 112.03985 111.7
[M+HCOO]- 174.04079 141.8
[M+CH3COO]- 188.05644 172.0
[M+Na-2H]- 150.01726 127.0
[M]+ 129.04204 130.0
[M]- 129.04314 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe