CID 67321908

71740-76-6

Structural Information

Molecular Formula
C16H25NO4
SMILES
CC(C)(C)OC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)O
InChI
InChI=1S/C16H25NO4/c1-14(2,3)21-13(20)17-16-7-10-4-11(8-16)6-15(5-10,9-16)12(18)19/h10-11H,4-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
UQFIEGHBAUBUKC-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]adamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

295.17834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18562 175.0
[M+Na]+ 318.16756 175.7
[M-H]- 294.17106 168.1
[M+NH4]+ 313.21216 197.9
[M+K]+ 334.14150 174.0
[M+H-H2O]+ 278.17560 170.2
[M+HCOO]- 340.17654 177.4
[M+CH3COO]- 354.19219 208.5
[M+Na-2H]- 316.15301 185.0
[M]+ 295.17779 176.4
[M]- 295.17889 176.4
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

patents stripe