CID 2724649

Rac-(1r,2s)-2-hydroxycyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC[C@H]([C@@H](C1)C#N)O
InChI
InChI=1S/C7H11NO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-4H2/t6-,7+/m0/s1
InChIKey
MFPCXQNVYPKUSM-NKWVEPMBSA-N
Compound name
(1S,2R)-2-hydroxycyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

125.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 124.7
[M+Na]+ 148.07328 132.9
[M-H]- 124.07678 126.8
[M+NH4]+ 143.11788 144.2
[M+K]+ 164.04722 130.5
[M+H-H2O]+ 108.08132 113.7
[M+HCOO]- 170.08226 141.4
[M+CH3COO]- 184.09791 181.7
[M+Na-2H]- 146.05873 130.0
[M]+ 125.08351 115.3
[M]- 125.08461 115.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe