CID 2757673

5-chloro-2-methylbenzylamine

Structural Information

Molecular Formula
C8H10ClN
SMILES
CC1=C(C=C(C=C1)Cl)CN
InChI
InChI=1S/C8H10ClN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,5,10H2,1H3
InChIKey
WXDWGQCDPGFBEN-UHFFFAOYSA-N
Compound name
(5-chloro-2-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

155.05017 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.057446 129.8
[M+Na]+ 178.039388 139.5
[M-H]- 154.042894 133.5
[M+NH4]+ 173.083993 151.8
[M+K]+ 194.013328 135.5
[M+H-H2O]+ 138.047430 125.6
[M+HCOO]- 200.048371 150.5
[M+CH3COO]- 214.064021 178.5
[M+Na-2H]- 176.024836 135.9
[M]+ 155.04962142 130.3
[M]- 155.05071858 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe