CID 150090832

(1-nitrosopiperidin-4-yl)methanol

Structural Information

Molecular Formula
C6H12N2O2
SMILES
C1CN(CCC1CO)N=O
InChI
InChI=1S/C6H12N2O2/c9-5-6-1-3-8(7-10)4-2-6/h6,9H,1-5H2
InChIKey
DTEPAUYZSFBORM-UHFFFAOYSA-N
Compound name
(1-nitrosopiperidin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

144.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 128.7
[M+Na]+ 167.07909 134.5
[M-H]- 143.08259 130.5
[M+NH4]+ 162.12369 148.4
[M+K]+ 183.05303 134.4
[M+H-H2O]+ 127.08713 122.2
[M+HCOO]- 189.08807 150.3
[M+CH3COO]- 203.10372 175.1
[M+Na-2H]- 165.06454 135.2
[M]+ 144.08932 125.5
[M]- 144.09042 125.5
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

patents stripe