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]+ 154.08626 131.5
[M+Na]+ 176.06820 139.4
[M-H]- 152.07170 134.0
[M+NH4]+ 171.11280 145.8
[M+K]+ 192.04214 141.3
[M+H-H2O]+ 136.07624 117.3
[M+HCOO]- 198.07718 147.7
[M+CH3COO]- 212.09283 189.2
[M+Na-2H]- 174.05365 135.1
[M]+ 153.07843 133.1
[M]- 153.07953 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.