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]+ 180.08415 131.1
[M+Na]+ 202.06609 139.9
[M-H]- 178.06959 138.3
[M+NH4]+ 197.11069 148.2
[M+K]+ 218.04003 137.0
[M+H-H2O]+ 162.07413 125.4
[M+HCOO]- 224.07507 151.0
[M+CH3COO]- 238.09072 144.5
[M+Na-2H]- 200.05154 137.1
[M]+ 179.07632 133.4
[M]- 179.07742 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.