CID 217536

38920-63-7

Structural Information

Molecular Formula
C14H29NS
SMILES
CC1CCC(C(C1)C)CCCCNCCS
InChI
InChI=1S/C14H29NS/c1-12-6-7-14(13(2)11-12)5-3-4-8-15-9-10-16/h12-16H,3-11H2,1-2H3
InChIKey
PTFMBDDBSWDCKR-UHFFFAOYSA-N
Compound name
2-[4-(2,4-dimethylcyclohexyl)butylamino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.20207 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20935 159.8
[M+Na]+ 266.19129 163.0
[M-H]- 242.19479 161.9
[M+NH4]+ 261.23589 177.9
[M+K]+ 282.16523 159.5
[M+H-H2O]+ 226.19933 153.2
[M+HCOO]- 288.20027 173.9
[M+CH3COO]- 302.21592 198.4
[M+Na-2H]- 264.17674 158.2
[M]+ 243.20152 159.4
[M]- 243.20262 159.4
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.