CID 119031239

2-amino-3,3-dicyclobutylpropanoic acid hydrochloride

Structural Information

Molecular Formula
C11H19NO2
SMILES
C1CC(C1)C(C2CCC2)C(C(=O)O)N
InChI
InChI=1S/C11H19NO2/c12-10(11(13)14)9(7-3-1-4-7)8-5-2-6-8/h7-10H,1-6,12H2,(H,13,14)
InChIKey
MLCZDJHSVYPJJX-UHFFFAOYSA-N
Compound name
2-amino-3,3-di(cyclobutyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

197.14159 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 148.3
[M+Na]+ 220.130808 147.5
[M-H]- 196.134314 151.4
[M+NH4]+ 215.175413 152.0
[M+K]+ 236.104748 152.7
[M+H-H2O]+ 180.138850 131.6
[M+HCOO]- 242.139791 162.2
[M+CH3COO]- 256.155441 197.6
[M+Na-2H]- 218.116256 146.5
[M]+ 197.14104142 158.6
[M]- 197.14213858 158.6
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