CID 65348512

6-{[cyclopropyl(methyl)amino]methyl}-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C12H15N3S
SMILES
CN(CC1=CC2=C(C=C1)N=C(S2)N)C3CC3
InChI
InChI=1S/C12H15N3S/c1-15(9-3-4-9)7-8-2-5-10-11(6-8)16-12(13)14-10/h2,5-6,9H,3-4,7H2,1H3,(H2,13,14)
InChIKey
HKIUOXXBMPVLOG-UHFFFAOYSA-N
Compound name
6-[[cyclopropyl(methyl)amino]methyl]-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.09866 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10594 144.8
[M+Na]+ 256.08788 155.8
[M-H]- 232.09138 153.3
[M+NH4]+ 251.13248 160.3
[M+K]+ 272.06182 151.0
[M+H-H2O]+ 216.09592 137.9
[M+HCOO]- 278.09686 166.4
[M+CH3COO]- 292.11251 158.2
[M+Na-2H]- 254.07333 148.8
[M]+ 233.09811 150.3
[M]- 233.09921 150.3
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.