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]+ 268.22710 165.9
[M+Na]+ 290.20904 173.0
[M-H]- 266.21254 171.8
[M+NH4]+ 285.25364 181.6
[M+K]+ 306.18298 171.4
[M+H-H2O]+ 250.21708 160.6
[M+HCOO]- 312.21802 184.3
[M+CH3COO]- 326.23367 210.3
[M+Na-2H]- 288.19449 167.1
[M]+ 267.21927 171.4
[M]- 267.22037 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.