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

15
Patents

144.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 128.7
[M+Na]+ 167.079088 134.5
[M-H]- 143.082594 130.5
[M+NH4]+ 162.123693 148.4
[M+K]+ 183.053028 134.4
[M+H-H2O]+ 127.087130 122.2
[M+HCOO]- 189.088071 150.3
[M+CH3COO]- 203.103721 175.1
[M+Na-2H]- 165.064536 135.2
[M]+ 144.08932142 125.5
[M]- 144.09041858 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