CID 12224371

(4-butoxy-3-chlorophenyl)methanamine

Structural Information

Molecular Formula
C11H16ClNO
SMILES
CCCCOC1=C(C=C(C=C1)CN)Cl
InChI
InChI=1S/C11H16ClNO/c1-2-3-6-14-11-5-4-9(8-13)7-10(11)12/h4-5,7H,2-3,6,8,13H2,1H3
InChIKey
IPZBXZNXQLVYQF-UHFFFAOYSA-N
Compound name
(4-butoxy-3-chlorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09204 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.09932 146.9
[M+Na]+ 236.08126 155.3
[M-H]- 212.08476 150.0
[M+NH4]+ 231.12586 166.5
[M+K]+ 252.05520 150.9
[M+H-H2O]+ 196.08930 141.7
[M+HCOO]- 258.09024 166.9
[M+CH3COO]- 272.10589 189.6
[M+Na-2H]- 234.06671 151.3
[M]+ 213.09149 150.0
[M]- 213.09259 150.0
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.