CID 479949

(1s,4s,4ar,8ar)-4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2h-naphthalene-1-thiol

Structural Information

Molecular Formula
C15H26S
SMILES
CC1=C[C@H]2[C@@H](CC[C@]([C@@H]2CC1)(C)S)C(C)C
InChI
InChI=1S/C15H26S/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14+,15-/m0/s1
InChIKey
NHIPRVZTDBRCSA-XQLPTFJDSA-N
Compound name
(1S,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalene-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.17552 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18280 154.1
[M+Na]+ 261.16474 159.6
[M-H]- 237.16824 157.7
[M+NH4]+ 256.20934 175.9
[M+K]+ 277.13868 156.6
[M+H-H2O]+ 221.17278 149.1
[M+HCOO]- 283.17372 164.4
[M+CH3COO]- 297.18937 195.9
[M+Na-2H]- 259.15019 153.8
[M]+ 238.17497 152.4
[M]- 238.17607 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.