CID 57354189

Dtxsid401262209

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CCC(=NOC(=O)NC=C)C
InChI
InChI=1S/C7H12N2O2/c1-4-6(3)9-11-7(10)8-5-2/h5H,2,4H2,1,3H3,(H,8,10)
InChIKey
LMYJMOOCCAZUDF-UHFFFAOYSA-N
Compound name
(butan-2-ylideneamino) N-ethenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.097146 134.2
[M+Na]+ 179.079088 140.3
[M-H]- 155.082594 135.9
[M+NH4]+ 174.123693 155.3
[M+K]+ 195.053028 140.7
[M+H-H2O]+ 139.087130 128.5
[M+HCOO]- 201.088071 160.3
[M+CH3COO]- 215.103721 183.4
[M+Na-2H]- 177.064536 139.1
[M]+ 156.08932142 135.3
[M]- 156.09041858 135.3
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.