CID 3300601

99862-34-7

Structural Information

Molecular Formula
C11H17BrN2
SMILES
CN(C)CCNCC1=CC=C(C=C1)Br
InChI
InChI=1S/C11H17BrN2/c1-14(2)8-7-13-9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3
InChIKey
LZFYBEIKDOCTHC-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

256.0575 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.064776 151.7
[M+Na]+ 279.046718 160.6
[M-H]- 255.050224 158.7
[M+NH4]+ 274.091323 172.3
[M+K]+ 295.020658 149.8
[M+H-H2O]+ 239.054760 149.8
[M+HCOO]- 301.055701 175.2
[M+CH3COO]- 315.071351 201.0
[M+Na-2H]- 277.032166 158.6
[M]+ 256.05695142 170.7
[M]- 256.05804858 170.7
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