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]+ 170.117556 138.2
[M+Na]+ 192.099498 142.4
[M-H]- 168.103004 140.6
[M+NH4]+ 187.144103 157.7
[M+K]+ 208.073438 142.0
[M+H-H2O]+ 152.107540 132.2
[M+HCOO]- 214.108481 158.9
[M+CH3COO]- 228.124131 180.4
[M+Na-2H]- 190.084946 141.0
[M]+ 169.10973142 134.2
[M]- 169.11082858 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.