CID 138991127

2309448-62-0

Structural Information

Molecular Formula
C17H27NO4
SMILES
CC(C)(C)OC(=O)NC12CC3CC(C1)CC(C3)(C2)CC(=O)O
InChI
InChI=1S/C17H27NO4/c1-15(2,3)22-14(21)18-17-7-11-4-12(8-17)6-16(5-11,10-17)9-13(19)20/h11-12H,4-10H2,1-3H3,(H,18,21)(H,19,20)
InChIKey
NTKNKGUKHPYHTQ-UHFFFAOYSA-N
Compound name
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-adamantyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.194 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.20128 179.4
[M+Na]+ 332.18322 179.7
[M-H]- 308.18672 172.3
[M+NH4]+ 327.22782 201.8
[M+K]+ 348.15716 177.8
[M+H-H2O]+ 292.19126 174.5
[M+HCOO]- 354.19220 181.5
[M+CH3COO]- 368.20785 211.3
[M+Na-2H]- 330.16867 188.9
[M]+ 309.19345 181.1
[M]- 309.19455 181.1
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.