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

104
Patents

155.07687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08415 133.4
[M+Na]+ 178.06609 140.5
[M-H]- 154.06959 137.3
[M+NH4]+ 173.11069 156.6
[M+K]+ 194.04003 138.6
[M+H-H2O]+ 138.07413 127.8
[M+HCOO]- 200.07507 153.6
[M+CH3COO]- 214.09072 178.0
[M+Na-2H]- 176.05154 135.5
[M]+ 155.07632 134.6
[M]- 155.07742 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