CID 217528

38920-59-1

Structural Information

Molecular Formula
C12H25NS
SMILES
C1CCC(CC1)CCCCNCCS
InChI
InChI=1S/C12H25NS/c14-11-10-13-9-5-4-8-12-6-2-1-3-7-12/h12-14H,1-11H2
InChIKey
MXGHTHGNTAEZQD-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylbutylamino)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.17078 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17806 151.5
[M+Na]+ 238.16000 153.8
[M-H]- 214.16350 153.3
[M+NH4]+ 233.20460 170.1
[M+K]+ 254.13394 150.8
[M+H-H2O]+ 198.16804 144.8
[M+HCOO]- 260.16898 166.3
[M+CH3COO]- 274.18463 190.2
[M+Na-2H]- 236.14545 152.3
[M]+ 215.17023 149.6
[M]- 215.17133 149.6
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.