CID 28566255

[(5-chlorothiophen-2-yl)methyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C9H14ClNS
SMILES
CC(C)CNCC1=CC=C(S1)Cl
InChI
InChI=1S/C9H14ClNS/c1-7(2)5-11-6-8-3-4-9(10)12-8/h3-4,7,11H,5-6H2,1-2H3
InChIKey
XZBWKMGUJOVOMU-UHFFFAOYSA-N
Compound name
N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05354 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06082 144.6
[M+Na]+ 226.04276 152.7
[M-H]- 202.04626 148.5
[M+NH4]+ 221.08736 166.9
[M+K]+ 242.01670 148.6
[M+H-H2O]+ 186.05080 139.8
[M+HCOO]- 248.05174 159.8
[M+CH3COO]- 262.06739 185.9
[M+Na-2H]- 224.02821 144.9
[M]+ 203.05299 148.2
[M]- 203.05409 148.2
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

No patent data available for this compound.