CID 21126761

Ns00058504

Structural Information

Molecular Formula
C10H16N2S
SMILES
CC1=NC2=C(S1)CCC(C2)N(C)C
InChI
InChI=1S/C10H16N2S/c1-7-11-9-6-8(12(2)3)4-5-10(9)13-7/h8H,4-6H2,1-3H3
InChIKey
IHWHCAKZOSUTBS-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.110696 142.2
[M+Na]+ 219.092638 150.1
[M-H]- 195.096144 146.8
[M+NH4]+ 214.137243 164.6
[M+K]+ 235.066578 148.4
[M+H-H2O]+ 179.100680 136.1
[M+HCOO]- 241.101621 159.2
[M+CH3COO]- 255.117271 189.4
[M+Na-2H]- 217.078086 143.8
[M]+ 196.10287142 143.5
[M]- 196.10396858 143.5
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.