CID 116223813

Methyl 2-amino-3-cyclobutyl-2-methylpropanoate hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(CC1CCC1)(C(=O)OC)N
InChI
InChI=1S/C9H17NO2/c1-9(10,8(11)12-2)6-7-4-3-5-7/h7H,3-6,10H2,1-2H3
InChIKey
LNEAGEHKILWKLS-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-cyclobutyl-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 140.8
[M+Na]+ 194.11515 144.3
[M-H]- 170.11865 143.3
[M+NH4]+ 189.15975 153.9
[M+K]+ 210.08909 147.2
[M+H-H2O]+ 154.12319 130.1
[M+HCOO]- 216.12413 160.2
[M+CH3COO]- 230.13978 185.2
[M+Na-2H]- 192.10060 144.2
[M]+ 171.12538 147.9
[M]- 171.12648 147.9
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.