CID 3050985

2-(2-bornylamino)ethanethiol hydrochloride

Structural Information

Molecular Formula
C12H23NS
SMILES
CC1(C2CCC1(C(C2)NCCS)C)C
InChI
InChI=1S/C12H23NS/c1-11(2)9-4-5-12(11,3)10(8-9)13-6-7-14/h9-10,13-14H,4-8H2,1-3H3
InChIKey
HCTMCXJVFUDGNH-UHFFFAOYSA-N
Compound name
2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

213.15512 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.162396 148.5
[M+Na]+ 236.144338 156.5
[M-H]- 212.147844 151.5
[M+NH4]+ 231.188943 177.2
[M+K]+ 252.118278 153.6
[M+H-H2O]+ 196.152380 145.8
[M+HCOO]- 258.153321 164.6
[M+CH3COO]- 272.168971 190.7
[M+Na-2H]- 234.129786 150.8
[M]+ 213.15457142 150.9
[M]- 213.15566858 150.9
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