CID 60024

M-anisidine, 4-(4-pentenyloxy)-, hydrobromide

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=C(C=CC(=C1)N)OCCCC=C
InChI
InChI=1S/C12H17NO2/c1-3-4-5-8-15-11-7-6-10(13)9-12(11)14-2/h3,6-7,9H,1,4-5,8,13H2,2H3
InChIKey
OOVMOWRWBFGHHI-UHFFFAOYSA-N
Compound name
3-methoxy-4-pent-4-enoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 146.6
[M+Na]+ 230.11515 154.0
[M-H]- 206.11865 149.8
[M+NH4]+ 225.15975 165.5
[M+K]+ 246.08909 151.4
[M+H-H2O]+ 190.12319 140.3
[M+HCOO]- 252.12413 171.3
[M+CH3COO]- 266.13978 190.0
[M+Na-2H]- 228.10060 151.1
[M]+ 207.12538 148.8
[M]- 207.12648 148.8
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

patents stripe