CID 119097470

2-bromocyclohex-2-en-1-amine hydrochloride

Structural Information

Molecular Formula
C6H10BrN
SMILES
C1CC=C(C(C1)N)Br
InChI
InChI=1S/C6H10BrN/c7-5-3-1-2-4-6(5)8/h3,6H,1-2,4,8H2
InChIKey
POCMMXTXYWNSOI-UHFFFAOYSA-N
Compound name
2-bromocyclohex-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

174.99966 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.006936 130.3
[M+Na]+ 197.988878 140.2
[M-H]- 173.992384 135.8
[M+NH4]+ 193.033483 153.4
[M+K]+ 213.962818 129.6
[M+H-H2O]+ 157.996920 130.5
[M+HCOO]- 219.997861 150.7
[M+CH3COO]- 234.013511 179.0
[M+Na-2H]- 195.974326 137.4
[M]+ 174.99911142 143.6
[M]- 175.00020858 143.6
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