CID 3058789

75606-59-6

Structural Information

Molecular Formula
C9H15NS
SMILES
CC1(NCCS1)CCC=C=C
InChI
InChI=1S/C9H15NS/c1-3-4-5-6-9(2)10-7-8-11-9/h4,10H,1,5-8H2,2H3
InChIKey
QACMFMCVAMDINW-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.09251 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09979 138.4
[M+Na]+ 192.08173 145.2
[M-H]- 168.08523 138.8
[M+NH4]+ 187.12633 161.1
[M+K]+ 208.05567 141.5
[M+H-H2O]+ 152.08977 133.5
[M+HCOO]- 214.09071 153.1
[M+CH3COO]- 228.10636 173.2
[M+Na-2H]- 190.06718 139.5
[M]+ 169.09196 136.0
[M]- 169.09306 136.0
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.