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 184.8
[M+Na]+ 346.19888 187.3
[M-H]- 322.20238 178.1
[M+NH4]+ 341.24348 210.3
[M+K]+ 362.17282 185.0
[M+H-H2O]+ 306.20692 179.7
[M+HCOO]- 368.20786 186.3
[M+CH3COO]- 382.22351 213.8
[M+Na-2H]- 344.18433 195.8
[M]+ 323.20911 187.9
[M]- 323.21021 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.