CID 65495636

2-{1-[(methylsulfanyl)methyl]cyclopropyl}ethan-1-amine

Structural Information

Molecular Formula
C7H15NS
SMILES
CSCC1(CC1)CCN
InChI
InChI=1S/C7H15NS/c1-9-6-7(2-3-7)4-5-8/h2-6,8H2,1H3
InChIKey
GHRCVPICYZCFOQ-UHFFFAOYSA-N
Compound name
2-[1-(methylsulfanylmethyl)cyclopropyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.09251 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 126.0
[M+Na]+ 168.081728 134.3
[M-H]- 144.085234 130.1
[M+NH4]+ 163.126333 144.5
[M+K]+ 184.055668 132.3
[M+H-H2O]+ 128.089770 121.0
[M+HCOO]- 190.090711 144.6
[M+CH3COO]- 204.106361 179.7
[M+Na-2H]- 166.067176 130.6
[M]+ 145.09196142 129.4
[M]- 145.09305858 129.4
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.