CID 5747408

146086-99-9

Structural Information

Molecular Formula
C16H29NO2
SMILES
CCN(CC)CC(=O)O[C@@H](C)C1C[C@@H]2C(C1)C2(C)C
InChI
InChI=1S/C16H29NO2/c1-6-17(7-2)10-15(18)19-11(3)12-8-13-14(9-12)16(13,4)5/h11-14H,6-10H2,1-5H3/t11-,12?,13+,14?/m0/s1
InChIKey
PKLXSPBSNPBFDV-RJZJGCCBSA-N
Compound name
[(1S)-1-[(5R)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]ethyl] 2-(diethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.21982 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.22710 164.1
[M+Na]+ 290.20904 173.0
[M+NH4]+ 285.25364 173.5
[M+K]+ 306.18298 169.4
[M-H]- 266.21254 172.0
[M+Na-2H]- 288.19449 169.1
[M]+ 267.21927 168.6
[M]- 267.22037 168.6
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.