CID 165651884

3-(aminomethyl)-4,4-dimethylthiolan-3-olhydrochloride

Structural Information

Molecular Formula
C7H15NOS
SMILES
CC1(CSCC1(CN)O)C
InChI
InChI=1S/C7H15NOS/c1-6(2)4-10-5-7(6,9)3-8/h9H,3-5,8H2,1-2H3
InChIKey
KAJNLDBIIKLNPP-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-4,4-dimethylthiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08743 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09471 131.8
[M+Na]+ 184.07665 139.5
[M-H]- 160.08015 133.8
[M+NH4]+ 179.12125 157.7
[M+K]+ 200.05059 137.3
[M+H-H2O]+ 144.08469 128.9
[M+HCOO]- 206.08563 148.5
[M+CH3COO]- 220.10128 174.0
[M+Na-2H]- 182.06210 134.9
[M]+ 161.08688 130.2
[M]- 161.08798 130.2
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.