CID 82506040

[4-chloro-2-(propan-2-yloxy)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula
C10H14ClNO
SMILES
CC(C)OC1=C(C=CC(=C1)Cl)CN
InChI
InChI=1S/C10H14ClNO/c1-7(2)13-10-5-9(11)4-3-8(10)6-12/h3-5,7H,6,12H2,1-2H3
InChIKey
CNBWVYYYBNGYHT-UHFFFAOYSA-N
Compound name
(4-chloro-2-propan-2-yloxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07639 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08367 142.4
[M+Na]+ 222.06561 151.0
[M-H]- 198.06911 145.8
[M+NH4]+ 217.11021 162.6
[M+K]+ 238.03955 147.4
[M+H-H2O]+ 182.07365 137.6
[M+HCOO]- 244.07459 161.8
[M+CH3COO]- 258.09024 187.5
[M+Na-2H]- 220.05106 146.2
[M]+ 199.07584 144.5
[M]- 199.07694 144.5
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.