CID 79002240

Ethyl 2-(1-aminocyclobutyl)acetate

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCOC(=O)CC1(CCC1)N
InChI
InChI=1S/C8H15NO2/c1-2-11-7(10)6-8(9)4-3-5-8/h2-6,9H2,1H3
InChIKey
GNTXGTVXRSBOFS-UHFFFAOYSA-N
Compound name
ethyl 2-(1-aminocyclobutyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

157.11028 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 136.9
[M+Na]+ 180.099498 141.4
[M-H]- 156.103004 139.8
[M+NH4]+ 175.144103 152.5
[M+K]+ 196.073438 144.1
[M+H-H2O]+ 140.107540 127.2
[M+HCOO]- 202.108481 158.2
[M+CH3COO]- 216.124131 181.5
[M+Na-2H]- 178.084946 141.3
[M]+ 157.10973142 144.5
[M]- 157.11082858 144.5
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