CID 65130659

[1-(ethylsulfanyl)cyclopropyl]methanamine

Structural Information

Molecular Formula
C6H13NS
SMILES
CCSC1(CC1)CN
InChI
InChI=1S/C6H13NS/c1-2-8-6(5-7)3-4-6/h2-5,7H2,1H3
InChIKey
CUMYFCXUUNUNNB-UHFFFAOYSA-N
Compound name
(1-ethylsulfanylcyclopropyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

131.07687 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.084146 122.0
[M+Na]+ 154.066088 130.7
[M-H]- 130.069594 126.3
[M+NH4]+ 149.110693 141.0
[M+K]+ 170.040028 129.0
[M+H-H2O]+ 114.074130 117.2
[M+HCOO]- 176.075071 140.9
[M+CH3COO]- 190.090721 176.8
[M+Na-2H]- 152.051536 127.1
[M]+ 131.07632142 125.1
[M]- 131.07741858 125.1
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