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 166.0
[M+Na]+ 290.20904 172.9
[M-H]- 266.21254 171.9
[M+NH4]+ 285.25364 183.1
[M+K]+ 306.18298 171.0
[M+H-H2O]+ 250.21708 161.3
[M+HCOO]- 312.21802 185.4
[M+CH3COO]- 326.23367 209.6
[M+Na-2H]- 288.19449 165.7
[M]+ 267.21927 172.5
[M]- 267.22037 172.5
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.