CID 338094

Lj 2080

Structural Information

Molecular Formula

C₁₇H₃₁NO

SMILES

CCN(CC)CCOCC1CC2C(C2(C)C)C=C1C

InChI

InChI=1S/C17H31NO/c1-6-18(7-2)8-9-19-12-14-11-16-15(10-13(14)3)17(16,4)5/h10,14-16H,6-9,11-12H2,1-5H3

InChIKey

HLCYAHKYDNXCNT-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)methoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.24057 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe