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

20
Patents

199.15723 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.16451 147.3
[M+Na]+ 222.14645 151.9
[M-H]- 198.14995 148.5
[M+NH4]+ 217.19105 167.4
[M+K]+ 238.12039 150.6
[M+H-H2O]+ 182.15449 143.3
[M+HCOO]- 244.15543 163.8
[M+CH3COO]- 258.17108 184.5
[M+Na-2H]- 220.13190 150.4
[M]+ 199.15668 141.7
[M]- 199.15778 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