CID 60879080

2418694-29-6

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]+ 196.05237 138.1
[M+Na]+ 218.03431 151.1
[M+NH4]+ 213.07891 143.4
[M+K]+ 234.00825 141.0
[M-H]- 194.03781 132.9
[M+Na-2H]- 216.01976 142.1
[M]+ 195.04454 137.9
[M]- 195.04564 137.9
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.