CID 198529

Lj 2162

Structural Information

Molecular Formula
C17H31NO
SMILES
CCN(CC)CCOCC1C2C(C2(C)C)CC=C1C
InChI
InChI=1S/C17H31NO/c1-6-18(7-2)10-11-19-12-14-13(3)8-9-15-16(14)17(15,4)5/h8,14-16H,6-7,9-12H2,1-5H3
InChIKey
PULVHGXFJNZOLV-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.24057 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.24785 166.5
[M+Na]+ 288.22979 174.2
[M-H]- 264.23329 172.6
[M+NH4]+ 283.27439 182.5
[M+K]+ 304.20373 171.9
[M+H-H2O]+ 248.23783 160.6
[M+HCOO]- 310.23877 186.7
[M+CH3COO]- 324.25442 211.5
[M+Na-2H]- 286.21524 169.2
[M]+ 265.24002 173.6
[M]- 265.24112 173.6
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.