CID 28702723

54961-36-3

Structural Information

Molecular Formula
C9H16N2O
SMILES
C1CCC(CC1)(C#N)NCCO
InChI
InChI=1S/C9H16N2O/c10-8-9(11-6-7-12)4-2-1-3-5-9/h11-12H,1-7H2
InChIKey
ZXKYYQPKEBFPCU-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 137.7
[M+Na]+ 191.11549 144.5
[M-H]- 167.11899 139.3
[M+NH4]+ 186.16009 156.8
[M+K]+ 207.08943 141.2
[M+H-H2O]+ 151.12353 126.4
[M+HCOO]- 213.12447 154.6
[M+CH3COO]- 227.14012 190.1
[M+Na-2H]- 189.10094 143.7
[M]+ 168.12572 128.1
[M]- 168.12682 128.1
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.