CID 21350524

1-amino-4-tert-butylcyclohexane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC(C)(C)C1CCC(CC1)(C(=O)O)N
InChI
InChI=1S/C11H21NO2/c1-10(2,3)8-4-6-11(12,7-5-8)9(13)14/h8H,4-7,12H2,1-3H3,(H,13,14)
InChIKey
PDNQBLZMZSRSKK-UHFFFAOYSA-N
Compound name
1-amino-4-tert-butylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

199.15723 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.164506 147.3
[M+Na]+ 222.146448 151.9
[M-H]- 198.149954 148.5
[M+NH4]+ 217.191053 167.4
[M+K]+ 238.120388 150.6
[M+H-H2O]+ 182.154490 143.3
[M+HCOO]- 244.155431 163.8
[M+CH3COO]- 258.171081 184.5
[M+Na-2H]- 220.131896 150.4
[M]+ 199.15668142 141.7
[M]- 199.15777858 141.7
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