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]+ 308.258406 182.8
[M+Na]+ 330.240348 182.8
[M-H]- 306.243854 176.6
[M+NH4]+ 325.284953 207.4
[M+K]+ 346.214288 180.1
[M+H-H2O]+ 290.248390 176.0
[M+HCOO]- 352.249331 185.4
[M+CH3COO]- 366.264981 217.8
[M+Na-2H]- 328.225796 189.1
[M]+ 307.25058142 184.4
[M]- 307.25167858 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.