CID 131312070

2490404-02-7

Structural Information

Molecular Formula
C9H16N2O
SMILES
CC(C)(C1(CCNCC1)C#N)O
InChI
InChI=1S/C9H16N2O/c1-8(2,12)9(7-10)3-5-11-6-4-9/h11-12H,3-6H2,1-2H3
InChIKey
XOUREDPGRDDLQJ-UHFFFAOYSA-N
Compound name
4-(2-hydroxypropan-2-yl)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 139.3
[M+Na]+ 191.11549 148.0
[M+NH4]+ 186.16009 144.4
[M+K]+ 207.08943 138.9
[M-H]- 167.11899 131.8
[M+Na-2H]- 189.10094 142.1
[M]+ 168.12572 137.5
[M]- 168.12682 137.5
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.