CID 53238978

1310421-49-8

Structural Information

Molecular Formula
C9H13NOS
SMILES
CC1(C2=C(CCO1)SC=C2)CN
InChI
InChI=1S/C9H13NOS/c1-9(6-10)7-3-5-12-8(7)2-4-11-9/h3,5H,2,4,6,10H2,1H3
InChIKey
NIBDYNBWJDEMKA-UHFFFAOYSA-N
Compound name
(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

183.0718 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07908 136.0
[M+Na]+ 206.06102 144.3
[M-H]- 182.06452 140.8
[M+NH4]+ 201.10562 159.7
[M+K]+ 222.03496 142.6
[M+H-H2O]+ 166.06906 131.7
[M+HCOO]- 228.07000 153.0
[M+CH3COO]- 242.08565 149.7
[M+Na-2H]- 204.04647 141.0
[M]+ 183.07125 136.1
[M]- 183.07235 136.1
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