CID 20824578

36035-10-6

Structural Information

Molecular Formula
C10H11NS
SMILES
CC1=CSC2=C1C=C(C=C2)CN
InChI
InChI=1S/C10H11NS/c1-7-6-12-10-3-2-8(5-11)4-9(7)10/h2-4,6H,5,11H2,1H3
InChIKey
ZKDBSLNAQMHXBW-UHFFFAOYSA-N
Compound name
(3-methyl-1-benzothiophen-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.06122 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06850 134.0
[M+Na]+ 200.05044 145.1
[M-H]- 176.05394 139.4
[M+NH4]+ 195.09504 158.0
[M+K]+ 216.02438 140.9
[M+H-H2O]+ 160.05848 129.2
[M+HCOO]- 222.05942 155.6
[M+CH3COO]- 236.07507 149.0
[M+Na-2H]- 198.03589 138.3
[M]+ 177.06067 136.9
[M]- 177.06177 136.9
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.