CID 12439367

2-(4-methylbenzenesulfinyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H13NOS
SMILES
CC1=CC=C(C=C1)S(=O)CCN
InChI
InChI=1S/C9H13NOS/c1-8-2-4-9(5-3-8)12(11)7-6-10/h2-5H,6-7,10H2,1H3
InChIKey
WNWWWTAJIGRYEU-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)sulfinylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.0718 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.079076 137.5
[M+Na]+ 206.061018 145.1
[M-H]- 182.064524 140.9
[M+NH4]+ 201.105623 157.6
[M+K]+ 222.034958 141.9
[M+H-H2O]+ 166.069060 131.6
[M+HCOO]- 228.070001 156.4
[M+CH3COO]- 242.085651 182.5
[M+Na-2H]- 204.046466 139.8
[M]+ 183.07125142 138.2
[M]- 183.07234858 138.2
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