CID 130742904

2309473-74-1

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(C)(C)C1CC(C1)(C(=O)O)N
InChI
InChI=1S/C9H17NO2/c1-8(2,3)6-4-9(10,5-6)7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKey
AYHNBGJVKFAWNB-UHFFFAOYSA-N
Compound name
1-amino-3-tert-butylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 143.2
[M+Na]+ 194.11515 148.0
[M-H]- 170.11865 145.1
[M+NH4]+ 189.15975 157.9
[M+K]+ 210.08909 150.1
[M+H-H2O]+ 154.12319 134.5
[M+HCOO]- 216.12413 161.0
[M+CH3COO]- 230.13978 183.4
[M+Na-2H]- 192.10060 146.5
[M]+ 171.12538 149.1
[M]- 171.12648 149.1
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.