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]+ 132.08415 122.0
[M+Na]+ 154.06609 130.7
[M-H]- 130.06959 126.3
[M+NH4]+ 149.11069 141.0
[M+K]+ 170.04003 129.0
[M+H-H2O]+ 114.07413 117.2
[M+HCOO]- 176.07507 140.9
[M+CH3COO]- 190.09072 176.8
[M+Na-2H]- 152.05154 127.1
[M]+ 131.07632 125.1
[M]- 131.07742 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