CID 118810320

20138-03-8

Structural Information

Molecular Formula
C19H33NO2
SMILES
CC(C)CCN(CC(=O)O)C12CC3CC(C1)(CC(C3)(C2)C)C
InChI
InChI=1S/C19H33NO2/c1-14(2)5-6-20(10-16(21)22)19-9-15-7-17(3,12-19)11-18(4,8-15)13-19/h14-15H,5-13H2,1-4H3,(H,21,22)
InChIKey
RRMCLTDZEANXQJ-UHFFFAOYSA-N
Compound name
2-[(3,5-dimethyl-1-adamantyl)-(3-methylbutyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.25113 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.25841 182.8
[M+Na]+ 330.24035 182.8
[M-H]- 306.24385 176.6
[M+NH4]+ 325.28495 207.4
[M+K]+ 346.21429 180.1
[M+H-H2O]+ 290.24839 176.0
[M+HCOO]- 352.24933 185.4
[M+CH3COO]- 366.26498 217.8
[M+Na-2H]- 328.22580 189.1
[M]+ 307.25058 184.4
[M]- 307.25168 184.4
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.