CID 125424164

(4-bromo-3-methoxy-1,2-thiazol-5-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C5H7BrN2OS
SMILES
COC1=NSC(=C1Br)CN
InChI
InChI=1S/C5H7BrN2OS/c1-9-5-4(6)3(2-7)10-8-5/h2,7H2,1H3
InChIKey
ZVFMVQVMIMQSDW-UHFFFAOYSA-N
Compound name
(4-bromo-3-methoxy-1,2-thiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.94624 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.95352 129.9
[M+Na]+ 244.93546 143.9
[M-H]- 220.93896 135.6
[M+NH4]+ 239.98006 153.1
[M+K]+ 260.90940 132.6
[M+H-H2O]+ 204.94350 129.8
[M+HCOO]- 266.94444 148.5
[M+CH3COO]- 280.96009 184.6
[M+Na-2H]- 242.92091 134.4
[M]+ 221.94569 150.7
[M]- 221.94679 150.7
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

No patent data available for this compound.