CID 57378005

7sup5o6aa1

Structural Information

Molecular Formula
C16H29NO3
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NCC(=O)OC(C)C)C(C)C
InChI
InChI=1S/C16H29NO3/c1-10(2)13-7-6-12(5)8-14(13)16(19)17-9-15(18)20-11(3)4/h10-14H,6-9H2,1-5H3,(H,17,19)/t12-,13+,14-/m1/s1
InChIKey
WEHTUCYLMXHUMA-HZSPNIEDSA-N
Compound name
propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

283.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.222026 171.3
[M+Na]+ 306.203968 173.3
[M-H]- 282.207474 173.5
[M+NH4]+ 301.248573 186.8
[M+K]+ 322.177908 172.8
[M+H-H2O]+ 266.212010 164.9
[M+HCOO]- 328.212951 187.3
[M+CH3COO]- 342.228601 207.5
[M+Na-2H]- 304.189416 167.0
[M]+ 283.21420142 169.8
[M]- 283.21529858 169.8
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