CID 429459

(tert-butylamino)(3,5,7-trimethyl-1-adamantyl)acetic acid

Structural Information

Molecular Formula
C19H33NO2
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)C(C(=O)O)NC(C)(C)C)C)C
InChI
InChI=1S/C19H33NO2/c1-15(2,3)20-13(14(21)22)19-10-16(4)7-17(5,11-19)9-18(6,8-16)12-19/h13,20H,7-12H2,1-6H3,(H,21,22)
InChIKey
BPSWQUUOJZGDMK-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-2-(3,5,7-trimethyl-1-adamantyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.25113 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.25841 185.2
[M+Na]+ 330.24035 187.2
[M-H]- 306.24385 178.4
[M+NH4]+ 325.28495 211.5
[M+K]+ 346.21429 183.8
[M+H-H2O]+ 290.24839 179.7
[M+HCOO]- 352.24933 185.9
[M+CH3COO]- 366.26498 214.5
[M+Na-2H]- 328.22580 194.6
[M]+ 307.25058 186.3
[M]- 307.25168 186.3
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.