CID 21029908

1403766-74-4

Structural Information

Molecular Formula
C9H18N2O
SMILES
CC1(CCN(CC1)C2CNC2)O
InChI
InChI=1S/C9H18N2O/c1-9(12)2-4-11(5-3-9)8-6-10-7-8/h8,10,12H,2-7H2,1H3
InChIKey
JHDMLCYDWIQIGM-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)-4-methylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

170.1419 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 140.4
[M+Na]+ 193.131118 144.2
[M-H]- 169.134624 140.8
[M+NH4]+ 188.175723 152.1
[M+K]+ 209.105058 144.8
[M+H-H2O]+ 153.139160 129.0
[M+HCOO]- 215.140101 153.6
[M+CH3COO]- 229.155751 177.1
[M+Na-2H]- 191.116566 144.4
[M]+ 170.14135142 141.4
[M]- 170.14244858 141.4
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