CID 155819331

2172619-35-9

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C/C=C/C(=O)N1CCC1C(=O)N
InChI
InChI=1S/C8H12N2O2/c1-2-3-7(11)10-5-4-6(10)8(9)12/h2-3,6H,4-5H2,1H3,(H2,9,12)/b3-2+
InChIKey
XAKSGWSGHSSQPM-NSCUHMNNSA-N
Compound name
1-[(E)-but-2-enoyl]azetidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 140.3
[M+Na]+ 191.07909 145.0
[M-H]- 167.08259 141.7
[M+NH4]+ 186.12369 152.2
[M+K]+ 207.05303 147.0
[M+H-H2O]+ 151.08713 128.4
[M+HCOO]- 213.08807 159.6
[M+CH3COO]- 227.10372 184.1
[M+Na-2H]- 189.06454 141.5
[M]+ 168.08932 146.2
[M]- 168.09042 146.2
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

No patent data available for this compound.