CID 13253394

79932-22-2

Structural Information

Molecular Formula
C9H14N2S
SMILES
CC1(CCC2=C(C1)SC(=N2)N)C
InChI
InChI=1S/C9H14N2S/c1-9(2)4-3-6-7(5-9)12-8(10)11-6/h3-5H2,1-2H3,(H2,10,11)
InChIKey
XELVDVCUWODGKX-UHFFFAOYSA-N
Compound name
6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

182.08777 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.095046 136.7
[M+Na]+ 205.076988 145.9
[M-H]- 181.080494 139.8
[M+NH4]+ 200.121593 160.8
[M+K]+ 221.050928 142.8
[M+H-H2O]+ 165.085030 131.8
[M+HCOO]- 227.085971 153.0
[M+CH3COO]- 241.101621 150.1
[M+Na-2H]- 203.062436 140.0
[M]+ 182.08722142 135.8
[M]- 182.08831858 135.8
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

patents stripe