CID 47003072

[4-methoxy-3-(prop-2-yn-1-yloxy)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC1=C(C=C(C=C1)CN)OCC#C
InChI
InChI=1S/C11H13NO2/c1-3-6-14-11-7-9(8-12)4-5-10(11)13-2/h1,4-5,7H,6,8,12H2,2H3
InChIKey
KDTGLOUUZDZDAM-UHFFFAOYSA-N
Compound name
(4-methoxy-3-prop-2-ynoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.7
[M+Na]+ 214.08386 151.8
[M-H]- 190.08736 143.6
[M+NH4]+ 209.12846 159.0
[M+K]+ 230.05780 148.3
[M+H-H2O]+ 174.09190 129.8
[M+HCOO]- 236.09284 160.6
[M+CH3COO]- 250.10849 193.8
[M+Na-2H]- 212.06931 145.8
[M]+ 191.09409 138.0
[M]- 191.09519 138.0
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.