CID 60796844

2305253-60-3

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)C(C1CCC=CC1)N
InChI
InChI=1S/C9H15NO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-3,7-8H,4-6,10H2,1H3
InChIKey
DZYFPQFKTCFWPF-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-cyclohex-3-en-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 138.2
[M+Na]+ 192.09950 142.4
[M-H]- 168.10300 140.6
[M+NH4]+ 187.14410 157.7
[M+K]+ 208.07344 142.0
[M+H-H2O]+ 152.10754 132.2
[M+HCOO]- 214.10848 158.9
[M+CH3COO]- 228.12413 180.4
[M+Na-2H]- 190.08495 141.0
[M]+ 169.10973 134.2
[M]- 169.11083 134.2
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.