CID 5468309

Nsc668362

Structural Information

Molecular Formula
C6H9NO2
SMILES
C/C=C/1\CNC1C(=O)O
InChI
InChI=1S/C6H9NO2/c1-2-4-3-7-5(4)6(8)9/h2,5,7H,3H2,1H3,(H,8,9)/b4-2+
InChIKey
LCXPHUZMYBUAOG-DUXPYHPUSA-N
Compound name
(3E)-3-ethylideneazetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 126.8
[M+Na]+ 150.05255 132.6
[M-H]- 126.05605 126.3
[M+NH4]+ 145.09715 139.7
[M+K]+ 166.02649 133.7
[M+H-H2O]+ 110.06059 116.5
[M+HCOO]- 172.06153 144.4
[M+CH3COO]- 186.07718 169.8
[M+Na-2H]- 148.03800 130.4
[M]+ 127.06278 131.6
[M]- 127.06388 131.6
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

No patent data available for this compound.