CID 131312070

4-(2-hydroxypropan-2-yl)piperidine-4-carbonitrile hydrochloride

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]+ 169.133546 140.9
[M+Na]+ 191.115488 148.1
[M-H]- 167.118994 140.1
[M+NH4]+ 186.160093 158.5
[M+K]+ 207.089428 144.8
[M+H-H2O]+ 151.123530 129.7
[M+HCOO]- 213.124471 152.8
[M+CH3COO]- 227.140121 186.0
[M+Na-2H]- 189.100936 146.6
[M]+ 168.12572142 130.2
[M]- 168.12681858 130.2
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.