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

6
Patents

213.15512 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.16240 148.5
[M+Na]+ 236.14434 156.5
[M-H]- 212.14784 151.5
[M+NH4]+ 231.18894 177.2
[M+K]+ 252.11828 153.6
[M+H-H2O]+ 196.15238 145.8
[M+HCOO]- 258.15332 164.6
[M+CH3COO]- 272.16897 190.7
[M+Na-2H]- 234.12979 150.8
[M]+ 213.15457 150.9
[M]- 213.15567 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