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]+ 184.079076 136.0
[M+Na]+ 206.061018 144.3
[M-H]- 182.064524 140.8
[M+NH4]+ 201.105623 159.7
[M+K]+ 222.034958 142.6
[M+H-H2O]+ 166.069060 131.7
[M+HCOO]- 228.070001 153.0
[M+CH3COO]- 242.085651 149.7
[M+Na-2H]- 204.046466 141.0
[M]+ 183.07125142 136.1
[M]- 183.07234858 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