CID 137943740

367939-58-0

Structural Information

Molecular Formula
C11H19NO
SMILES
C[C@@H]1CC[C@H]([C@](C1)(C#N)O)C(C)C
InChI
InChI=1S/C11H19NO/c1-8(2)10-5-4-9(3)6-11(10,13)7-12/h8-10,13H,4-6H2,1-3H3/t9-,10+,11+/m1/s1
InChIKey
ZYUJMAOJFWVJHG-VWYCJHECSA-N
Compound name
(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 140.9
[M+Na]+ 204.135888 149.4
[M-H]- 180.139394 143.3
[M+NH4]+ 199.180493 160.7
[M+K]+ 220.109828 146.2
[M+H-H2O]+ 164.143930 130.7
[M+HCOO]- 226.144871 155.7
[M+CH3COO]- 240.160521 194.0
[M+Na-2H]- 202.121336 143.7
[M]+ 181.14612142 132.9
[M]- 181.14721858 132.9
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.