CID 3073108

146086-98-8

Structural Information

Molecular Formula
C16H29NO2
SMILES
CCN(CC)CC(=O)O[C@H]1C[C@@H]2[C@H](C2(C)C)C[C@@H]1C
InChI
InChI=1S/C16H29NO2/c1-6-17(7-2)10-15(18)19-14-9-13-12(8-11(14)3)16(13,4)5/h11-14H,6-10H2,1-5H3/t11-,12+,13+,14-/m0/s1
InChIKey
DFWSMEZBRSVSOO-DGAVXFQQSA-N
Compound name
[(1R,3S,4S,6R)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl] 2-(diethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.21982 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.227096 165.9
[M+Na]+ 290.209038 173.0
[M-H]- 266.212544 171.8
[M+NH4]+ 285.253643 181.6
[M+K]+ 306.182978 171.4
[M+H-H2O]+ 250.217080 160.6
[M+HCOO]- 312.218021 184.3
[M+CH3COO]- 326.233671 210.3
[M+Na-2H]- 288.194486 167.1
[M]+ 267.21927142 171.4
[M]- 267.22036858 171.4
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.