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]+ 324.216936 184.8
[M+Na]+ 346.198878 187.3
[M-H]- 322.202384 178.1
[M+NH4]+ 341.243483 210.3
[M+K]+ 362.172818 185.0
[M+H-H2O]+ 306.206920 179.7
[M+HCOO]- 368.207861 186.3
[M+CH3COO]- 382.223511 213.8
[M+Na-2H]- 344.184326 195.8
[M]+ 323.20911142 187.9
[M]- 323.21020858 187.9
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.