CID 66037788

[1-(4-bromophenyl)sulfanylcyclopropyl]methanamine

Structural Information

Molecular Formula
C10H12BrNS
SMILES
C1CC1(CN)SC2=CC=C(C=C2)Br
InChI
InChI=1S/C10H12BrNS/c11-8-1-3-9(4-2-8)13-10(7-12)5-6-10/h1-4H,5-7,12H2
InChIKey
DSYUDWWTYFPDSK-UHFFFAOYSA-N
Compound name
[1-(4-bromophenyl)sulfanylcyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.98737 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.99465 131.5
[M+Na]+ 279.97659 136.3
[M+NH4]+ 275.02119 139.6
[M+K]+ 295.95053 134.2
[M-H]- 255.98009 140.5
[M+Na-2H]- 277.96204 140.7
[M]+ 256.98682 135.3
[M]- 256.98792 135.3
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

No patent data available for this compound.