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

29
Patents

283.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.22203 170.7
[M+Na]+ 306.20397 177.2
[M+NH4]+ 301.24857 176.3
[M+K]+ 322.17791 173.6
[M-H]- 282.20747 170.7
[M+Na-2H]- 304.18942 171.2
[M]+ 283.21420 171.1
[M]- 283.21530 171.1
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

patents stripe