CID 4962072

[4-(morpholine-4-sulfonyl)phenyl]methanamine

Structural Information

Molecular Formula
C11H16N2O3S
SMILES
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CN
InChI
InChI=1S/C11H16N2O3S/c12-9-10-1-3-11(4-2-10)17(14,15)13-5-7-16-8-6-13/h1-4H,5-9,12H2
InChIKey
XLDWJOJGHKMPOR-UHFFFAOYSA-N
Compound name
(4-morpholin-4-ylsulfonylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

256.08817 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09545 155.1
[M+Na]+ 279.07739 161.0
[M-H]- 255.08089 160.0
[M+NH4]+ 274.12199 168.9
[M+K]+ 295.05133 158.6
[M+H-H2O]+ 239.08543 147.5
[M+HCOO]- 301.08637 168.9
[M+CH3COO]- 315.10202 191.0
[M+Na-2H]- 277.06284 159.3
[M]+ 256.08762 153.1
[M]- 256.08872 153.1
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