CID 3071151

2,6-dibromo-1-methylgramine hydrobromide

Structural Information

Molecular Formula
C12H14Br2N2
SMILES
CN1C2=C(C=CC(=C2)Br)C(=C1Br)CN(C)C
InChI
InChI=1S/C12H14Br2N2/c1-15(2)7-10-9-5-4-8(13)6-11(9)16(3)12(10)14/h4-6H,7H2,1-3H3
InChIKey
HRWHRJJNBIIBKB-UHFFFAOYSA-N
Compound name
1-(2,6-dibromo-1-methylindol-3-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

343.95236 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.95964 155.4
[M+Na]+ 366.94158 168.1
[M-H]- 342.94508 163.6
[M+NH4]+ 361.98618 175.3
[M+K]+ 382.91552 152.9
[M+H-H2O]+ 326.94962 162.5
[M+HCOO]- 388.95056 172.9
[M+CH3COO]- 402.96621 216.2
[M+Na-2H]- 364.92703 161.0
[M]+ 343.95181 192.6
[M]- 343.95291 192.6
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