CID 198529

70424-77-0

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
2
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]+ 266.247846 166.5
[M+Na]+ 288.229788 174.2
[M-H]- 264.233294 172.6
[M+NH4]+ 283.274393 182.5
[M+K]+ 304.203728 171.9
[M+H-H2O]+ 248.237830 160.6
[M+HCOO]- 310.238771 186.7
[M+CH3COO]- 324.254421 211.5
[M+Na-2H]- 286.215236 169.2
[M]+ 265.24002142 173.6
[M]- 265.24111858 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.