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

19
Patents

175.02225 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.029526 135.8
[M+Na]+ 198.011468 144.8
[M-H]- 174.014974 139.6
[M+NH4]+ 193.056073 159.0
[M+K]+ 213.985408 140.8
[M+H-H2O]+ 158.019510 131.5
[M+HCOO]- 220.020451 151.0
[M+CH3COO]- 234.036101 179.2
[M+Na-2H]- 195.996916 136.2
[M]+ 175.02170142 137.7
[M]- 175.02279858 137.7
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