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]+ 268.227096 166.0
[M+Na]+ 290.209038 172.9
[M-H]- 266.212544 171.9
[M+NH4]+ 285.253643 183.1
[M+K]+ 306.182978 171.0
[M+H-H2O]+ 250.217080 161.3
[M+HCOO]- 312.218021 185.4
[M+CH3COO]- 326.233671 209.6
[M+Na-2H]- 288.194486 165.7
[M]+ 267.21927142 172.5
[M]- 267.22036858 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.