CID 4673867

2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C9H14N2S
SMILES
C1CCC2=C(C1)N=C(S2)CCN
InChI
InChI=1S/C9H14N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-6,10H2
InChIKey
BDCAMWDLMRVNQN-UHFFFAOYSA-N
Compound name
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08777 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.095046 137.2
[M+Na]+ 205.076988 144.7
[M-H]- 181.080494 139.7
[M+NH4]+ 200.121593 159.0
[M+K]+ 221.050928 141.5
[M+H-H2O]+ 165.085030 131.3
[M+HCOO]- 227.085971 153.7
[M+CH3COO]- 241.101621 149.9
[M+Na-2H]- 203.062436 139.8
[M]+ 182.08722142 135.6
[M]- 182.08831858 135.6
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.