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]+ 146.09979 130.0
[M+Na]+ 168.08173 137.3
[M-H]- 144.08523 133.2
[M+NH4]+ 163.12633 155.4
[M+K]+ 184.05567 135.5
[M+H-H2O]+ 128.08977 125.8
[M+HCOO]- 190.09071 147.9
[M+CH3COO]- 204.10636 174.8
[M+Na-2H]- 166.06718 131.7
[M]+ 145.09196 128.2
[M]- 145.09306 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