CID 45893

63979-07-7

Structural Information

Molecular Formula
C14H20ClNO
SMILES
CCOC1=C2CCCC(C2=C(C=C1)Cl)N(C)C
InChI
InChI=1S/C14H20ClNO/c1-4-17-13-9-8-11(15)14-10(13)6-5-7-12(14)16(2)3/h8-9,12H,4-7H2,1-3H3
InChIKey
HPCDMUPRNJRNFN-UHFFFAOYSA-N
Compound name
8-chloro-5-ethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.12334 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.130616 157.4
[M+Na]+ 276.112558 164.9
[M-H]- 252.116064 162.8
[M+NH4]+ 271.157163 177.3
[M+K]+ 292.086498 161.4
[M+H-H2O]+ 236.120600 151.6
[M+HCOO]- 298.121541 174.4
[M+CH3COO]- 312.137191 202.0
[M+Na-2H]- 274.098006 161.1
[M]+ 253.12279142 160.2
[M]- 253.12388858 160.2
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.