CID 68696343

(7-chloronaphthalen-1-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C11H10ClN
SMILES
C1=CC2=C(C=C(C=C2)Cl)C(=C1)CN
InChI
InChI=1S/C11H10ClN/c12-10-5-4-8-2-1-3-9(7-13)11(8)6-10/h1-6H,7,13H2
InChIKey
ALYVZNWEEXNADT-UHFFFAOYSA-N
Compound name
(7-chloronaphthalen-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

191.05017 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.057446 137.9
[M+Na]+ 214.039388 147.8
[M-H]- 190.042894 142.2
[M+NH4]+ 209.083993 159.3
[M+K]+ 230.013328 142.3
[M+H-H2O]+ 174.047430 133.0
[M+HCOO]- 236.048371 157.6
[M+CH3COO]- 250.064021 151.7
[M+Na-2H]- 212.024836 145.7
[M]+ 191.04962142 138.5
[M]- 191.05071858 138.5
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

patents stripe