CID 3056090

73425-52-2

Structural Information

Molecular Formula
C13H16N2OS
SMILES
C1CC(C2=C(C1)NC3=C2C=C(C=C3)SO)CN
InChI
InChI=1S/C13H16N2OS/c14-7-8-2-1-3-12-13(8)10-6-9(17-16)4-5-11(10)15-12/h4-6,8,15-16H,1-3,7,14H2
InChIKey
RZKYXZAILCTYPV-UHFFFAOYSA-N
Compound name
(6-hydroxysulfanyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09833 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10561 151.1
[M+Na]+ 271.08755 160.1
[M-H]- 247.09105 152.4
[M+NH4]+ 266.13215 170.4
[M+K]+ 287.06149 153.8
[M+H-H2O]+ 231.09559 145.9
[M+HCOO]- 293.09653 164.8
[M+CH3COO]- 307.11218 162.5
[M+Na-2H]- 269.07300 154.2
[M]+ 248.09778 150.1
[M]- 248.09888 150.1
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

No patent data available for this compound.