CID 3059957

77528-63-3

Structural Information

Molecular Formula
C9H14N2S
SMILES
CNCC1CCC2=C(C1)N=CS2
InChI
InChI=1S/C9H14N2S/c1-10-5-7-2-3-9-8(4-7)11-6-12-9/h6-7,10H,2-5H2,1H3
InChIKey
QBOJNGZZIUUNRV-UHFFFAOYSA-N
Compound name
N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

182.08777 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.095046 136.9
[M+Na]+ 205.076988 144.4
[M-H]- 181.080494 139.9
[M+NH4]+ 200.121593 159.0
[M+K]+ 221.050928 141.5
[M+H-H2O]+ 165.085030 131.0
[M+HCOO]- 227.085971 154.0
[M+CH3COO]- 241.101621 149.8
[M+Na-2H]- 203.062436 140.5
[M]+ 182.08722142 136.3
[M]- 182.08831858 136.3
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