CID 60879080

1-[5-chloro-2-(prop-2-yn-1-yloxy)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula
C10H10ClNO
SMILES
C#CCOC1=C(C=C(C=C1)Cl)CN
InChI
InChI=1S/C10H10ClNO/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h1,3-4,6H,5,7,12H2
InChIKey
ABGAIVGHPQLCMU-UHFFFAOYSA-N
Compound name
(5-chloro-2-prop-2-ynoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04509 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.052366 141.1
[M+Na]+ 218.034308 152.6
[M-H]- 194.037814 143.1
[M+NH4]+ 213.078913 159.1
[M+K]+ 234.008248 146.8
[M+H-H2O]+ 178.042350 130.5
[M+HCOO]- 240.043291 156.1
[M+CH3COO]- 254.058941 192.7
[M+Na-2H]- 216.019756 145.2
[M]+ 195.04454142 137.6
[M]- 195.04563858 137.6
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.