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 135.1
[M+Na]+ 279.97659 148.1
[M-H]- 255.98009 144.8
[M+NH4]+ 275.02119 153.2
[M+K]+ 295.95053 136.1
[M+H-H2O]+ 239.98463 135.4
[M+HCOO]- 301.98557 152.9
[M+CH3COO]- 316.00122 150.2
[M+Na-2H]- 277.96204 142.2
[M]+ 256.98682 155.6
[M]- 256.98792 155.6
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

No patent data available for this compound.