CID 82417758

(2,2-dimethylthiolan-3-yl)methanamine

Structural Information

Molecular Formula
C7H15NS
SMILES
CC1(C(CCS1)CN)C
InChI
InChI=1S/C7H15NS/c1-7(2)6(5-8)3-4-9-7/h6H,3-5,8H2,1-2H3
InChIKey
YPTMOASDMGGYSM-UHFFFAOYSA-N
Compound name
(2,2-dimethylthiolan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

145.09251 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 130.0
[M+Na]+ 168.081728 137.3
[M-H]- 144.085234 133.2
[M+NH4]+ 163.126333 155.4
[M+K]+ 184.055668 135.5
[M+H-H2O]+ 128.089770 125.8
[M+HCOO]- 190.090711 147.9
[M+CH3COO]- 204.106361 174.8
[M+Na-2H]- 166.067176 131.7
[M]+ 145.09196142 128.2
[M]- 145.09305858 128.2
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

patents stripe