CID 154814512

2551120-00-2

Structural Information

Molecular Formula
C8H11NO2
SMILES
COC(=O)C1(CC(C1)C#C)N
InChI
InChI=1S/C8H11NO2/c1-3-6-4-8(9,5-6)7(10)11-2/h1,6H,4-5,9H2,2H3
InChIKey
VMBJDRYNCRBZHO-UHFFFAOYSA-N
Compound name
methyl 1-amino-3-ethynylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 131.5
[M+Na]+ 176.068198 139.4
[M-H]- 152.071704 134.0
[M+NH4]+ 171.112803 145.8
[M+K]+ 192.042138 141.3
[M+H-H2O]+ 136.076240 117.3
[M+HCOO]- 198.077181 147.7
[M+CH3COO]- 212.092831 189.2
[M+Na-2H]- 174.053646 135.1
[M]+ 153.07843142 133.1
[M]- 153.07952858 133.1
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.