CID 18960623

(2-bromo-3-methylphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC1=C(C(=CC=C1)CN)Br
InChI
InChI=1S/C8H10BrN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,5,10H2,1H3
InChIKey
ULOIPAJCWMRHIW-UHFFFAOYSA-N
Compound name
(2-bromo-3-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

198.99966 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 134.5
[M+Na]+ 221.98888 146.4
[M-H]- 197.99238 140.7
[M+NH4]+ 217.03348 157.2
[M+K]+ 237.96282 135.0
[M+H-H2O]+ 181.99692 134.6
[M+HCOO]- 243.99786 157.1
[M+CH3COO]- 258.01351 185.1
[M+Na-2H]- 219.97433 141.9
[M]+ 198.99911 151.6
[M]- 199.00021 151.6
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

patents stripe