CID 45089143

2171915-88-9

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(CC(C1)(C(=O)O)N)C
InChI
InChI=1S/C7H13NO2/c1-6(2)3-7(8,4-6)5(9)10/h3-4,8H2,1-2H3,(H,9,10)
InChIKey
AOQFFBYJSPNMLB-UHFFFAOYSA-N
Compound name
1-amino-3,3-dimethylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

143.09464 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 134.0
[M+Na]+ 166.08386 140.2
[M-H]- 142.08736 136.5
[M+NH4]+ 161.12846 151.7
[M+K]+ 182.05780 142.3
[M+H-H2O]+ 126.09190 126.5
[M+HCOO]- 188.09284 154.0
[M+CH3COO]- 202.10849 177.7
[M+Na-2H]- 164.06931 138.8
[M]+ 143.09409 140.2
[M]- 143.09519 140.2
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