CID 67644759

Schembl8122789

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1C=CCC(=C1)[C@H](C(=O)N)N
InChI
InChI=1S/C8H12N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H2,10,11)/t7-/m1/s1
InChIKey
LZMGQXOXSJIVKO-SSDOTTSWSA-N
Compound name
(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

152.09496 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 132.8
[M+Na]+ 175.084178 137.6
[M-H]- 151.087684 135.1
[M+NH4]+ 170.128783 152.4
[M+K]+ 191.058118 136.3
[M+H-H2O]+ 135.092220 126.7
[M+HCOO]- 197.093161 155.4
[M+CH3COO]- 211.108811 180.0
[M+Na-2H]- 173.069626 136.4
[M]+ 152.09441142 126.8
[M]- 152.09550858 126.8
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