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]+ 212.200896 148.8
[M+Na]+ 234.182838 157.2
[M-H]- 210.186344 152.9
[M+NH4]+ 229.227443 167.4
[M+K]+ 250.156778 155.2
[M+H-H2O]+ 194.190880 145.7
[M+HCOO]- 256.191821 165.5
[M+CH3COO]- 270.207471 195.2
[M+Na-2H]- 232.168286 153.1
[M]+ 211.19307142 150.2
[M]- 211.19416858 150.2
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.