CID 28430636

2839138-23-5

Structural Information

Molecular Formula
C9H13NS
SMILES
C1CC1CNCC2=CSC=C2
InChI
InChI=1S/C9H13NS/c1-2-8(1)5-10-6-9-3-4-11-7-9/h3-4,7-8,10H,1-2,5-6H2
InChIKey
HSLOUUFGTUJWLD-UHFFFAOYSA-N
Compound name
1-cyclopropyl-N-(thiophen-3-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

167.07687 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.084146 127.7
[M+Na]+ 190.066088 136.5
[M-H]- 166.069594 135.3
[M+NH4]+ 185.110693 145.5
[M+K]+ 206.040028 133.3
[M+H-H2O]+ 150.074130 121.5
[M+HCOO]- 212.075071 149.3
[M+CH3COO]- 226.090721 182.1
[M+Na-2H]- 188.051536 131.8
[M]+ 167.07632142 131.0
[M]- 167.07741858 131.0
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