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]+ 249.105606 151.1
[M+Na]+ 271.087548 160.1
[M-H]- 247.091054 152.4
[M+NH4]+ 266.132153 170.4
[M+K]+ 287.061488 153.8
[M+H-H2O]+ 231.095590 145.9
[M+HCOO]- 293.096531 164.8
[M+CH3COO]- 307.112181 162.5
[M+Na-2H]- 269.072996 154.2
[M]+ 248.09778142 150.1
[M]- 248.09887858 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.