CID 4584055

N-allyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C10H14N2S
SMILES
C=CCNC1=NC2=C(S1)CCCC2
InChI
InChI=1S/C10H14N2S/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h2H,1,3-7H2,(H,11,12)
InChIKey
KDHVJBSMFAZRHD-UHFFFAOYSA-N
Compound name
N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

194.08777 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09505 140.7
[M+Na]+ 217.07699 148.1
[M-H]- 193.08049 143.6
[M+NH4]+ 212.12159 162.2
[M+K]+ 233.05093 144.3
[M+H-H2O]+ 177.08503 134.6
[M+HCOO]- 239.08597 157.6
[M+CH3COO]- 253.10162 153.2
[M+Na-2H]- 215.06244 143.8
[M]+ 194.08722 139.7
[M]- 194.08832 139.7
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

patents stripe