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]+ 182.15395 140.9
[M+Na]+ 204.13589 149.4
[M-H]- 180.13939 143.3
[M+NH4]+ 199.18049 160.7
[M+K]+ 220.10983 146.2
[M+H-H2O]+ 164.14393 130.7
[M+HCOO]- 226.14487 155.7
[M+CH3COO]- 240.16052 194.0
[M+Na-2H]- 202.12134 143.7
[M]+ 181.14612 132.9
[M]- 181.14722 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.