CID 17052885

259655-05-5

Structural Information

Molecular Formula
C8H13NS
SMILES
CC(C)NCC1=CC=CS1
InChI
InChI=1S/C8H13NS/c1-7(2)9-6-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
InChIKey
SUZIRJQKJYVJCT-UHFFFAOYSA-N
Compound name
N-(thiophen-2-ylmethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

155.07687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.084146 133.4
[M+Na]+ 178.066088 140.5
[M-H]- 154.069594 137.3
[M+NH4]+ 173.110693 156.6
[M+K]+ 194.040028 138.6
[M+H-H2O]+ 138.074130 127.8
[M+HCOO]- 200.075071 153.6
[M+CH3COO]- 214.090721 178.0
[M+Na-2H]- 176.051536 135.5
[M]+ 155.07632142 134.6
[M]- 155.07741858 134.6
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