CID 52908220

[1-(phenylsulfanyl)cyclopropyl]methanamine

Structural Information

Molecular Formula
C10H13NS
SMILES
C1CC1(CN)SC2=CC=CC=C2
InChI
InChI=1S/C10H13NS/c11-8-10(6-7-10)12-9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKey
XVHVQEQFDFBYTE-UHFFFAOYSA-N
Compound name
(1-phenylsulfanylcyclopropyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.084146 131.1
[M+Na]+ 202.066088 139.9
[M-H]- 178.069594 138.3
[M+NH4]+ 197.110693 148.2
[M+K]+ 218.040028 137.0
[M+H-H2O]+ 162.074130 125.4
[M+HCOO]- 224.075071 151.0
[M+CH3COO]- 238.090721 144.5
[M+Na-2H]- 200.051536 137.1
[M]+ 179.07632142 133.4
[M]- 179.07741858 133.4
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.