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

7
Patents

194.08777 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.095046 140.7
[M+Na]+ 217.076988 148.1
[M-H]- 193.080494 143.6
[M+NH4]+ 212.121593 162.2
[M+K]+ 233.050928 144.3
[M+H-H2O]+ 177.085030 134.6
[M+HCOO]- 239.085971 157.6
[M+CH3COO]- 253.101621 153.2
[M+Na-2H]- 215.062436 143.8
[M]+ 194.08722142 139.7
[M]- 194.08831858 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