CID 3073110

(+)-cis-4-n-isopropylamino-trans-3-hydroxy-cis-carane

Structural Information

Molecular Formula
C13H25NO
SMILES
CC(C)N[C@H]1C[C@@H]2[C@@H](C2(C)C)C[C@]1(C)O
InChI
InChI=1S/C13H25NO/c1-8(2)14-11-6-9-10(12(9,3)4)7-13(11,5)15/h8-11,14-15H,6-7H2,1-5H3/t9-,10+,11+,13+/m1/s1
InChIKey
LYERGDJILMFRIM-BLFANLJRSA-N
Compound name
(1S,3S,4S,6R)-3,7,7-trimethyl-4-(propan-2-ylamino)bicyclo[4.1.0]heptan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.19362 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.20090 148.7
[M+Na]+ 234.18284 159.8
[M+NH4]+ 229.22744 160.7
[M+K]+ 250.15678 152.4
[M-H]- 210.18634 157.9
[M+Na-2H]- 232.16829 156.9
[M]+ 211.19307 154.3
[M]- 211.19417 154.3
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.