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]+ 196.05237 141.1
[M+Na]+ 218.03431 152.6
[M-H]- 194.03781 143.1
[M+NH4]+ 213.07891 159.1
[M+K]+ 234.00825 146.8
[M+H-H2O]+ 178.04235 130.5
[M+HCOO]- 240.04329 156.1
[M+CH3COO]- 254.05894 192.7
[M+Na-2H]- 216.01976 145.2
[M]+ 195.04454 137.6
[M]- 195.04564 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.