CID 137965595

2230807-57-3

Structural Information

Molecular Formula
C18H29NO4
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)OC(C)(C)C)C(=O)O)C
InChI
InChI=1S/C18H29NO4/c1-14(2,3)23-13(22)19-18-9-15(4)6-16(5,10-18)8-17(7-15,11-18)12(20)21/h6-11H2,1-5H3,(H,19,22)(H,20,21)
InChIKey
XCYDUFDZEYUXTG-UHFFFAOYSA-N
Compound name
3,5-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]adamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20966 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.21694 178.1
[M+Na]+ 346.19888 182.5
[M+NH4]+ 341.24348 191.2
[M+K]+ 362.17282 171.2
[M-H]- 322.20238 173.1
[M+Na-2H]- 344.18433 176.6
[M]+ 323.20911 177.7
[M]- 323.21021 177.7
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

No patent data available for this compound.