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 148.8
[M+Na]+ 234.18284 157.2
[M-H]- 210.18634 152.9
[M+NH4]+ 229.22744 167.4
[M+K]+ 250.15678 155.2
[M+H-H2O]+ 194.19088 145.7
[M+HCOO]- 256.19182 165.5
[M+CH3COO]- 270.20747 195.2
[M+Na-2H]- 232.16829 153.1
[M]+ 211.19307 150.2
[M]- 211.19417 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.