CID 49890

1-(5-chlorothiophen-2-yl)propan-2-amine

Structural Information

Molecular Formula
C7H10ClNS
SMILES
CC(CC1=CC=C(S1)Cl)N
InChI
InChI=1S/C7H10ClNS/c1-5(9)4-6-2-3-7(8)10-6/h2-3,5H,4,9H2,1H3
InChIKey
KBRSVPQQFOBHLK-UHFFFAOYSA-N
Compound name
1-(5-chlorothiophen-2-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

175.02225 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.02953 135.4
[M+Na]+ 198.01147 146.3
[M+NH4]+ 193.05607 145.3
[M+K]+ 213.98541 139.6
[M-H]- 174.01497 138.0
[M+Na-2H]- 195.99692 140.4
[M]+ 175.02170 138.3
[M]- 175.02280 138.3
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