CID 138991483

2309457-53-0

Structural Information

Molecular Formula
C10H17NO2
SMILES
COC(=O)C1(CC(C1)C2CCC2)N
InChI
InChI=1S/C10H17NO2/c1-13-9(12)10(11)5-8(6-10)7-3-2-4-7/h7-8H,2-6,11H2,1H3
InChIKey
IITPUUOFBNMRNP-UHFFFAOYSA-N
Compound name
methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 139.5
[M+Na]+ 206.11515 142.0
[M-H]- 182.11865 144.9
[M+NH4]+ 201.15975 147.0
[M+K]+ 222.08909 147.0
[M+H-H2O]+ 166.12319 125.3
[M+HCOO]- 228.12413 157.1
[M+CH3COO]- 242.13978 195.6
[M+Na-2H]- 204.10060 141.8
[M]+ 183.12538 153.1
[M]- 183.12648 153.1
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.