CID 91800893

Methyl 2-[3-(aminomethyl)cyclobutyl]acetate hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
COC(=O)CC1CC(C1)CN
InChI
InChI=1S/C8H15NO2/c1-11-8(10)4-6-2-7(3-6)5-9/h6-7H,2-5,9H2,1H3
InChIKey
ANLUNYPYQKQBTL-UHFFFAOYSA-N
Compound name
methyl 2-[3-(aminomethyl)cyclobutyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

157.11028 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.6
[M+Na]+ 180.09950 140.0
[M-H]- 156.10300 138.4
[M+NH4]+ 175.14410 149.5
[M+K]+ 196.07344 142.8
[M+H-H2O]+ 140.10754 124.7
[M+HCOO]- 202.10848 156.8
[M+CH3COO]- 216.12413 183.1
[M+Na-2H]- 178.08495 138.3
[M]+ 157.10973 143.2
[M]- 157.11083 143.2
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

patents stripe