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]+ 168.08415 127.7
[M+Na]+ 190.06609 136.5
[M-H]- 166.06959 135.3
[M+NH4]+ 185.11069 145.5
[M+K]+ 206.04003 133.3
[M+H-H2O]+ 150.07413 121.5
[M+HCOO]- 212.07507 149.3
[M+CH3COO]- 226.09072 182.1
[M+Na-2H]- 188.05154 131.8
[M]+ 167.07632 131.0
[M]- 167.07742 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